SCHEMBL10454881

SCHEMBL10454881

CCc1cc2c(O)ccc(-c3ccc(O)c(C)c3)c2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.44
▸ HSD17B1 P14061 7/20 0.42
▸ HSD17B2 P37059 5/20 0.42
▸ HSD17B14 Q9BPX1 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ ESR1 P03372 4/20 0.39
▸ ESR2 Q92731 4/20 0.39
▸ AR P10275 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL9721339 0.84 TLR8 (0.51) TLR8HSD17B1HSD17B2HSD17B14ESR1
SCHEMBL9721390 0.76 TLR8 (0.43) TLR8HSD17B1HSD17B2ESR1ESR2
SCHEMBL30719600 0.75 TLR8 (0.57) TLR8HSD17B1HSD17B2MCL1ESR1
SCHEMBL9721283 0.75 MCL1 (0.47) TLR8HSD17B1HSD17B2MCL1ESR1
SCHEMBL23496970 0.75 TLR8 (0.57) TLR8HSD17B1HSD17B2MCL1ESR1
SCHEMBL15326993 0.74 TLR8 (0.49) TLR8HSD17B1HSD17B2MCL1ESR1
SCHEMBL9721286 0.72 APP (0.60) MAPT
SCHEMBL13678995 0.71 TLR8 (0.70) TLR8HSD17B1HSD17B2MCL1ESR1
SCHEMBL2030094 0.71 TLR8 (0.49) TLR8HSD17B1HSD17B2MCL1ESR1
Propane SCHEMBL17699241 0.70 HSD17B1 (0.61) HSD17B1HSD17B2ESR1ESR2AR

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
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO claimed
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