SCHEMBL9721316

SCHEMBL9721316

Cc1ccc(-c2c(C=O)c(C=O)c(O)c3cc(C)c(O)cc23)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.39
▸ MCL1 Q07820 4/20 0.36
▸ AKR1B1 P15121 4/20 0.36
▸ BCL2L1 Q07817 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ BCL2 P10415 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ BLM P54132 2/20 0.36

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
SCHEMBL9721314 0.91 ERN1 (0.39) ERN1MCL1AKR1B1BCL2L1MAPT
SCHEMBL9721255 0.87 ERN1 (0.39) ERN1MCL1AKR1B1BCL2L1MAPT
SCHEMBL9721268 0.83 NOX4 (0.42) ERN1MAPTCYP3A4KDM4EMEN1
SCHEMBL9721269 0.77 SENP1 (0.36) MCL1BCL2L1MAPTBCL2CYP3A4
SCHEMBL9721289 0.72 ALB (0.49) ERN1MAPTALDH1A1LDHATP53
SCHEMBL10453709 0.70 TSHR (0.35) MAPTCYP3A4KDM4EALDH1A1LMNA
SCHEMBL9721380 0.69 CYP3A4 (0.39) ERN1MCL1AKR1B1BCL2L1MAPT
SCHEMBL9721292 0.68 HSD17B1 (0.41) MCL1BCL2L1MAPTBCL2CYP3A4
SCHEMBL9721276 0.68 ESR1 (0.44) ERN1MAPTCYP3A4KDM4EMEN1
SCHEMBL9721310 0.68 CYP3A4 (0.35) ERN1MCL1AKR1B1BCL2L1MAPT

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 4 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
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO 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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