SCHEMBL8874249

SCHEMBL8874249

COc1ccc(C(=O)OCCc2ccc(CO)cc2)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42
TYR P14679 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
MET P08581 1/20 0.40
MAPK1 P28482 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
SCHEMBL8839085 0.88 RARA (0.48) MAPTNPC1RAB9ASMN1; SMN2RARA
SCHEMBL7940070 0.84 RARA (0.49) MAPTSMN1; SMN2RARARARBRARG
SCHEMBL9285428 0.80 RARA (0.50) MAPTNPC1SMN1; SMN2RARARARB
SCHEMBL21376220 0.79 HSD17B2 (0.61) MAPTNPC1RAB9ASMN1; SMN2RARA
SCHEMBL8874247 0.79 RARA (0.45) MAPTRARARARBRARGTSHR
SCHEMBL8839343 0.79 MEN1 (0.56) MAPTNPC1RAB9ASMN1; SMN2RARA
SCHEMBL5081222 0.78 RARA (0.57) NPC1RAB9ASMN1; SMN2RARARARB
SCHEMBL8839378 0.78 RARA (0.48) MAPTNPC1RAB9ASMN1; SMN2RARA
SCHEMBL8839128 0.78 SMN1; SMN2 (0.54) MAPTNPC1RAB9ASMN1; SMN2RARA
SCHEMBL8839075 0.77 RARA (0.44) MAPTNPC1RAB9ASMN1; SMN2RARA

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
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed