SCHEMBL557667

SCHEMBL557667

OC1CCC(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.64
SLC18A3 Q16572 11/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL2778652 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL6583115 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727992 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727996 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
Hydrogen Peroxide SCHEMBL2353767 0.89 SLC18A3 (0.64) SLC18A3SIGMAR1CYP2D6TSHRSMN1; SMN2
SCHEMBL7265967 0.87 NPC1 (0.65) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL41763 0.87
SCHEMBL190417 0.87 SLC18A3 (0.67) SLC18A3SIGMAR1CYP2D6SMN1; SMN2AKR1C3
SCHEMBL17730101 0.86 AKR1C3 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL6404297 0.86 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106923-B Process for revamping a plant for the production of cyclohexanone CAP III 有限公司 2021-06-15 CN claimed
CN-112961194-A PNO ligand containing chiral ferrocene and application thereof 洛阳师范学院 2021-06-15 CN claimed
EP-3095774-B1 PROCESS FOR THE PRODUCTION OF A MIXTURE COMPRISING CYCLOHEXANONE AND CYCLOHEXANOL Cap Iii Bv (NL) 2019-07-03 EP claimed
US-10130895-B2 Process for revamping a plant for the production of cyclohexanone CAP III B.V. (NL) 2018-11-20 US claimed
EP-3233228-B1 A PROCESS FOR REVAMPING A PLANT FOR THE PRODUCTION OF CYCLOHEXANONE Cap Iii Bv (NL) 2018-09-19 EP claimed
US-20170368473-A1 A Process for Revamping a Plant for the Production of Cyclohexanone CAP III B.V. (NL) 2017-12-28 US claimed
EP-3233228-A1 A PROCESS FOR REVAMPING A PLANT FOR THE PRODUCTION OF CYCLOHEXANONE CAP III B.V. (NL) 2017-10-25 EP claimed
CN-107106923-A The method for transforming the equipment for producing cyclohexanone CAP III 有限公司 2017-08-29 CN claimed
EP-3115350-A1 A PROCESS FOR THE PRODUCTION OF A MIXTURE COMPRISING CYCLOHEXANOL AND CYCLOHEXANONE CAP III B.V. (NL) 2017-01-11 EP claimed
EP-3095774-A1 A PROCESS FOR THE PRODUCTION OF A MIXTURE COMPRISING CYCLOHEXANONE AND CYCLOHEXANOL CAP III B.V. (NL) 2016-11-23 EP claimed
WO-2014088842-A1 PROCESS FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-06-12 WO claimed
WO-2014043478-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-20 WO claimed
WO-2014043188-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-20 WO claimed
EP-0757669-B1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1998-11-18 EP claimed
EP-0757669-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-02-12 EP claimed
WO-1995029148-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-11-02 WO claimed
EP-0543230-A1 Poly(arylene sulfide) comparative tracking index improvement PHILLIPS PETROLEUM COMPANY (US) 1993-05-26 EP claimed
EP-0068851-A1 Metallic salts of hindered phenolic anti-oxidant as anti-gel component in transition metal-catalyzed olefin polymers containing halide residue UNION CARBIDE CORPORATION (US) 1983-01-05 EP claimed
US-4195042-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1980-03-25 US claimed
US-3956177-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1976-05-11 US claimed