SCHEMBL26936632

SCHEMBL26936632

Cc1ccc(-c2ccc(F)cc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
TNKS2 Q9H2K2 1/20 0.43
APP P05067 1/20 0.42
PTGS1 P23219 3/20 0.42
ACHE P22303 1/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 4/20 0.41
ALOX5 P09917 3/20 0.41
PTGS2 P35354 2/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL47861 0.86 TSHR (0.56) TSHRCASP1APPPTGS1ACHE
SCHEMBL1513516 0.83 HSD17B1 (0.60) ERCC1ERCC4TNKS2HSD17B1HSD17B2
SCHEMBL22107622 0.83 ERN1 (0.51) TSHRCASP1APPPTGS1ACHE
SCHEMBL1007614 0.82 MCL1 (0.52) TSHRCASP1APPPTGS1ACHE
SCHEMBL26936683 0.82 ESR2 (0.60) CASP1TNKS2APPACHEHSD17B1
SCHEMBL129788 0.81
SCHEMBL30755529 0.81
SCHEMBL1005170 0.80 ALOX5 (0.64) TSHRCASP1APPHSD17B1HSD17B2
SCHEMBL14295102 0.79 MCL1 (0.57) TSHRCASP1APPPTGS1ACHE
SCHEMBL12387990 0.79 APP (0.70) TSHRCASP1APPPTGS1ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed