SCHEMBL2279013

SCHEMBL2279013

CC(C)c1ccc(Sc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.53
BCL2 P10415 1/20 0.53
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGIR P43119 1/20 0.47
TYR P14679 2/20 0.44
DHFR P00374 1/20 0.42
AGBL2 Q5U5Z8 1/20 0.41
NR1H2 P55055 1/20 0.41
HTT P42858 2/20 0.41
CHRNA7 P36544 1/20 0.41
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL12552559 0.90 MCL1 (0.47) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL21953832 0.90 CHRNA7 (0.53) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL14002157 0.90 CHRNA7 (0.53) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL9889033 0.86 MCL1 (0.45) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL18736606 0.84 MCL1 (0.44) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL19222994 0.84 RAB9A (0.51) MCL1BCL2CYP3A4TSHRMAPK1
SCHEMBL30548755 0.83 DHFR (0.51) MCL1BCL2PTGIRTYRDHFR
SCHEMBL18715757 0.82 PTGIR (0.46) MCL1BCL2PTGIRGAAKMT2A
SCHEMBL31500033 0.82 LMNA (0.52) MCL1BCL2TYRAGBL2HTT
SCHEMBL22561859 0.82 MCL1 (0.50) MCL1BCL2CYP3A4PTGIRTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568818-A Bacterial non-specific peroxygenase (BUPO) and method and use thereof 吉柯生物科技有限公司 2023-08-08 CN disclosed
US-20230221637-A1 Holographic Recording Materials and Methods of Making Same UNIV COLORADO REGENTS (US) 2023-07-13 US disclosed
CN-113501774-B Method for synthesizing bromodifluoromethyl selenide compounds under metal-free condition 江苏省原子医学研究所 2023-02-28 CN disclosed
US-20210246266-A1 HIGH DYNAMIC RANGE TWO-STAGE PHOTOPOLYMERS NATIONAL SCIENCE FOUNDATION 2021-08-12 US disclosed
EP-3750895-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR LG Chem, Ltd. (KR) 2020-12-16 EP disclosed
WO-2019156397-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2019-08-15 WO disclosed
CN-109111451-A Dihydropyrimidines and its application in drug 广东东阳光药业有限公司 2019-01-01 CN disclosed
WO-2017164260-A1 BENZOXAZINE COMPOUND, METHOD FOR PRODUCING SAME, AND BENZOXAZINE RESIN 学校法人近畿大学 2017-09-28 WO disclosed
US-20170017154-A1 PHOTOSENSITIVE RESIN COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2017-01-19 US disclosed
US-20170017153-A1 PHOTOSENSITIVE RESIN COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2017-01-19 US disclosed
US-20070072119-A1 Lithographic printing plate precursor and lithographic printing method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20070039500-A1 Manufacturing method of lithographic printing plate and manufacturing apparatus of lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2007-02-22 US disclosed
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
EP-0003913-B1 PESTICIDALLY ACTIVE BENZOPHENONE HYDRAZONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PESTICIDAL COMPOSITIONS AND METHODS FBC LIMITED (GB) 1984-05-02 EP disclosed
US-4394387-A INSECTICIDES, MITICIDES THE BOOTS COMPANY PLC (GB) 1983-07-19 US disclosed
US-4344893-A SUBSTITUTED BENZOPHENONE HYDRAZONES THE BOOTS COMPANY LIMITED (GB) 1982-08-17 US disclosed
EP-0003913-A1 Pesticidally active benzophenone hydrazone derivatives, methods for their production and pesticidal compositions and methods FBC LIMITED (GB) 1979-09-05 EP disclosed