SCHEMBL765190

SCHEMBL765190

COC(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.42
KIF11 P52732 2/20 0.39
MAPK1 P28482 2/20 0.38
KCNA5 P22460 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
LTA4H P09960 1/20 0.38
TRPA1 O75762 1/20 0.37
CES1 P23141 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNN4 O15554 1/20 0.36

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
SCHEMBL7001871 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL9614595 0.78 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL11248544 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL1505807 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL238218 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL5145585 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL6470484 0.77 LMNA (0.50) TAAR1LMNAMAPK1CES1TP53
SCHEMBL4454996 0.77 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19SLC6A2TAAR1
SCHEMBL6057047 0.76 LMNA (0.45) TAAR1LMNAKIF11MAPK1CES1
SCHEMBL2065992 0.76 TAAR1 (0.52) TAAR1LMNAKIF11MAPK1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009121244-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 WO claimed
EP-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 EP disclosed
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 EP disclosed
WO-2021081469-A2 LIGHT-INDUCIBLE CRISPR/CAS9 SYSTEM FOR GENOME EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-29 WO disclosed
WO-2021041801-A1 BROMODOMAIN INHIBITORS TO TARGET THERAPY-RESISTANT CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-03-04 WO disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 WO disclosed
EP-3277286-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2018-02-07 EP disclosed
EP-3223823-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
WO-2016161003-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHAMRACEUTICALS, INC. (US) 2016-10-06 WO disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
WO-2005077966-A1 SUBSTITUTED PIXYL PROTECTING GROUPS FOR OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2005-08-25 WO disclosed
WO-2005027962-A1 4’-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
EP-1276726-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
WO-2002018353-A2 OXAZOLIDINONE CHEMOTHERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
WO-2002018321-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
WO-2001081316-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed