SCHEMBL9721292

SCHEMBL9721292

Cc1cc(-c2c(C)c(C)c(O)c3cc(O)c(C)cc23)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.41
▸ HSD17B2 P37059 4/20 0.41
▸ ESR2 Q92731 5/20 0.40
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ESR1 P03372 5/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BCL2L2 Q92843 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL9721269 0.90 SENP1 (0.36) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL9721361 0.84 SENP1 (0.39) HSD17B1HSD17B2SENP1BCL2BCL2L1
SCHEMBL9721314 0.77 ERN1 (0.39) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL17753418 0.77 HSD17B1 (0.47) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL6699314 0.76 HSD17B1 (0.53) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL7105404 0.74 HSD17B1 (0.48) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL6701966 0.72 HSD17B1 (0.50) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL272034 0.71 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL29429121 0.71 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL29696046 0.71 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1

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 3 patents. 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
US-5112869-A SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-05-12 — — US disclosed
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO disclosed
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