SCHEMBL4862217

SCHEMBL4862217

CCCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
SIGMAR1 Q99720 2/20 0.56
CHRM3 P20309 11/20 0.53
CHRM2 P08172 10/20 0.53
CHRM4 P08173 10/20 0.53
CHRM5 P08912 10/20 0.53
CHRM1 P11229 10/20 0.53
CYP2D6 P10635 3/20 0.48
KCNH2 Q12809 3/20 0.48
HTR1A P08908 2/20 0.48
OPRM1 P35372 2/20 0.48
LMNA P02545 2/20 0.48
BCL2 P10415 1/20 0.47
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tert-Butylamine SCHEMBL9008904 0.92 SMN1; SMN2 (0.52) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
Butylamine SCHEMBL9107548 0.87 KIF11 (0.53) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL5159643 0.86 SIGMAR1 (0.62) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL28076876 0.85 KIF11 (0.55) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL28076878 0.85 KIF11 (0.55) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL560935 0.85 SMN1; SMN2 (0.61) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL10512222 0.85 CHRM4 (0.62) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL11413546 0.83 SIGMAR1 (0.64) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL5395161 0.83 SIGMAR1 (0.64) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4
SCHEMBL28270229 0.83 SIGMAR1 (0.64) SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322345-A High-molecular-weight poly-delta-caprolactone and preparation method and application thereof 南京先进生物材料与过程装备研究院有限公司 2022-11-11 CN claimed
CN-105693595-B The synthetic method of one kind (R) -3- amino -1,2,3,4- tetrahydro carbazoles 上海亚兴生物医药科技有限公司 2018-09-28 CN claimed
CN-105693595-A Synthesis method for (R)-3-amino-1,2,3,4-tetrahydrocarbazole 上海亚兴生物医药科技有限公司 2016-06-22 CN claimed
JP-2008501010-A 2008-01-17 JP claimed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP claimed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 WO claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
CN-113425722-A Bitter taste receptor agonist and its application in preventing and treating SARS-CoV-2 related infectious disease 上海市浦东新区公利医院(第二军医大学附属公利医院) 2021-09-24 CN disclosed
CN-110036050-A Heat-resisting/wet low-density epoxy composition 3M创新有限公司 2019-07-19 CN disclosed
CN-106881739-B The manufacturing method and manufacturing device of optical film 柯尼卡美能达株式会社 2019-03-05 CN disclosed
CN-105693595-B The synthetic method of one kind (R) -3- amino -1,2,3,4- tetrahydro carbazoles 上海亚兴生物医药科技有限公司 2018-09-28 CN disclosed
US-5322873-A Carbamate silicon compounds as latent coupling agents and process for preparation and use OSI SPECIALTIES, INC. (US) 1994-06-21 US disclosed
US-5220047-A CARBAMATE SILICON COMPOUNDS AS LATENT COUPLING AGENTS AND PROCESS FOR PREPARATION AND USE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-06-15 US disclosed
EP-0476564-A1 Latent carbamate silicon coupling agents and process for preparation and use OSi Specialties, Inc. (US) 1992-03-25 EP disclosed
EP-0376608-A2 Benzamide derivatives as antiarrhythmics ELI LILLY AND COMPANY (US) 1990-07-04 EP disclosed
EP-0115079-B1 SUBSTITUTED 1-((3-(AMINO)-PROPOXY)-PHENYL)-1-(PHENYL)-PROPAN-1-OLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-03-18 EP disclosed
EP-0114410-B1 SUBSTITUTED ALPHA-(ETHYL)-ALPHA-(PHENYL)-(OMEGA-(DIALKYLAMINO)-ALKOXY)-BENZYL ALCOHOLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION, AS WELL AS MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-05-14 EP disclosed
EP-0115080-B1 (OMEGA-(DIETHYLAMINO)-ALKOXY)-ALPHA-(ETHYL)-BENZHYDROL DERIVATIVES, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-16 EP disclosed