SCHEMBL31428

SCHEMBL31428

CCc1ccc(OC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.71
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 2/20 0.59
PPARG P37231 1/20 0.59
PPARD Q03181 1/20 0.59
PPARA Q07869 1/20 0.59
PTGS2 P35354 1/20 0.58
POLB P06746 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
AOC3 Q16853 1/20 0.53

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
SCHEMBL31275634 1.00 CA2 (0.71) CA2ATMKDM4EALDH1A1PPARG
Water SCHEMBL8587595 0.98 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
Ammonia Solution, Strong SCHEMBL266403 0.98 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
Ethyne SCHEMBL27435391 0.96 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
Hydrochloric Acid SCHEMBL9485631 0.96 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
Methylamine SCHEMBL7276343 0.96 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
Methylamine SCHEMBL9598985 0.94 CA2 (0.63) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL11030253 0.87 CALM1 (0.56) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL8171761 0.87 CALM1 (0.65) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL31540298 0.86 CA2 (0.53) CA2ATMKDM4EALDH1A1PPARG

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 1206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113768936-A Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2021-12-10 CN claimed
CN-113683615-A Evodiamine derivative and preparation and application thereof 南华大学 2021-11-23 CN claimed
CN-110016095-B Solid catalyst component for olefin polymerization, preparation method thereof, catalyst and application thereof 中国石油化工股份有限公司 2021-07-02 CN claimed
CN-109280110-B Solid catalyst component for olefin polymerization, olefin polymerization catalyst, application thereof and ethylene copolymer 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280106-B Solid catalyst component and catalyst system for olefin polymerization and olefin polymerization process 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280107-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280101-B Solid catalyst component and catalyst system for olefin polymerization and olefin polymerization process 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280111-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280109-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-02-05 CN claimed
CN-109280104-B Application of cyclotri-veratrum hydrocarbon and derivative thereof in olefin polymerization catalyst 中国石油化工股份有限公司 2021-02-05 CN claimed
EP-0053435-A1 Compounds suitable for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 EP claimed
EP-0053436-A1 Method for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 EP claimed
US-4294834-A Azocine analgesics and method for their preparation GODECKE AKTIENGESELLSCHAFT (DE) 1981-10-13 US claimed
EP-0008045-B1 (1,2)-ANNELLATED 7-PHENYL-1,4-BENZODIAZEPINE DERIVATIVES AND SALTS THEREOF, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Kali-Chemie Pharma GmbH (DE) 1981-09-30 EP claimed
EP-0011483-A1 Azocine compounds suitable as analgesics, and process for their production GÖDECKE AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
EP-0008045-A1 (1,2)-Annellated 7-phenyl-1,4-benzodiazepine derivatives and salts thereof, processes for their preparation and medicaments containing them Kali-Chemie Pharma GmbH (DE) 1980-02-20 EP claimed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 US claimed
EP-0002792-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-11 EP claimed
US-4024156-A Thiophene ethanolamines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed