SCHEMBL11117865

SCHEMBL11117865

COc1ccc2c(c1)C=Cc1ccccc1C2=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTSR1 P30989 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH1 P35367 1/20 0.38
HTT P42858 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11117862 1.00 GPR3 (0.41) GPR3ARSMN1; SMN2NTSR1MAPK1
SCHEMBL11111670 0.92 HDAC8 (0.40) GPR3ARNTSR1MAPK1ALDH1A1
SCHEMBL11111667 0.92 HDAC8 (0.40) GPR3ARNTSR1MAPK1ALDH1A1
SCHEMBL677773 0.82 MEN1 (0.42) ALDH1A1LMNACYP1A2CYP2D6HPGD
SCHEMBL29454416 0.82 MEN1 (0.42) ALDH1A1LMNACYP1A2CYP2D6HPGD
SCHEMBL1233660 0.79 MEN1 (0.49) SMN1; SMN2ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL11115316 0.78 HSD17B3 (0.38) GPR3ARSMN1; SMN2MAPK1ALDH1A1
SCHEMBL11115938 0.78 HSD17B3 (0.38) GPR3ARSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9205791 0.74 GPR3 (0.45) GPR3SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL11118131 0.72 S100A4 (0.38) ARALDH1A1HTT

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-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed