SCHEMBL9721302

SCHEMBL9721302

Cc1cc(-c2ccc(O)c3c(O)c(O)c(O)cc23)cc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HSD17B1 P14061 3/20 0.32
▸ HSD17B2 P37059 3/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ BCL2L1 Q07817 3/20 0.31
▸ BCL2 P10415 2/20 0.31
▸ MCL1 Q07820 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL9721245 0.84 MAPT (0.41) BCL2L1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL9721291 0.83 TLR8 (0.36) TLR8CA1CA2HSD17B1HSD17B2
SCHEMBL9721418 0.82 CA1 (0.36) TLR8CA1CA2HSD17B1HSD17B2
SCHEMBL9721311 0.79 MAOA (0.36) TLR8ESR1ESR2CYP3A4PIM1
SCHEMBL9721297 0.78 CA1 (0.43) TLR8CA1CA2HSD17B1HSD17B2
SCHEMBL29006355 0.74 ESR2 (0.41) CA1CA2HSD17B1HSD17B2ESR1
SCHEMBL24923348 0.64 SELL (0.40) CA1CA2BCL2L1BCL2MCL1
SCHEMBL24936683 0.64 SELL (0.40) CA1CA2BCL2L1BCL2MCL1
SCHEMBL9721339 0.63 TLR8 (0.51) TLR8HSD17B1HSD17B2ESR1ESR2
SCHEMBL922255 0.62 CA1 (0.56) CA1CA2ESR1ESR2KDM4E

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-5112869-A SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-05-12 — — US claimed
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