SCHEMBL8109801

SCHEMBL8109801

CSC1(SC)CCOc2ccc(C(=O)CC(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.42
RARA P10276 4/20 0.41
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CTNNB1 P35222 3/20 0.39
RXRA P19793 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL8907172 0.86 ATM (0.43) CYP26A1CYP26B1PKMTSHRATM
SCHEMBL8101913 0.85 RARB (0.53) CYP26A1CYP26B1RARARARBRARG
SCHEMBL4421853 0.83 KDM4E (0.50) CYP26A1CYP26B1TSHRATMRARA
SCHEMBL28971883 0.81 CYP26A1 (0.41) CYP26A1CYP26B1TSHRATMRARA
SCHEMBL6146444 0.80 CYP26A1 (0.50) CYP26A1CYP26B1TSHRRARARARB
SCHEMBL27557340 0.79 RARB (0.45) CYP26A1CYP26B1TSHRATMRARA
SCHEMBL9817651 0.76 RARB (0.53) CYP26A1RARARARBRARG
SCHEMBL7141574 0.75 RARB (0.74) CYP26A1RARARARBRARGALDH1A1
SCHEMBL8458478 0.75 RXRA (0.54) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8459845 0.75 STAT3 (0.62) RARARARBRARGALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed