SCHEMBL9721268

SCHEMBL9721268

O=Cc1c(C=O)c(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 1/20 0.42
▸ APP P05067 4/20 0.42
▸ ALOX5 P09917 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PADI4 Q9UM07 1/20 0.38
▸ ERN1 O75460 6/20 0.37
▸ CD38 P28907 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLCO2B1 O94956 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ MAPT P10636 1/20 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 0.83 ERN1 (0.39) KDM4ERAB9APADI4ERN1MEN1
SCHEMBL9721316 0.83 ERN1 (0.39) KDM4ERAB9APADI4ERN1MEN1
SCHEMBL9721255 0.78 ERN1 (0.39) KDM4EPTGS2RAB9APADI4ERN1
SCHEMBL9721276 0.73 ESR1 (0.44) NOX4KDM4ERAB9APADI4ERN1
SCHEMBL9721232 0.71 APP (0.46) APPALOX5KDM4EPTGS2RAB9A
SCHEMBL9721289 0.71 ALB (0.49) PADI4ERN1ALDH1A1TP53MAPT
SCHEMBL9721312 0.70 MAPK8 (0.34) KDM4ERAB9APADI4ERN1MEN1
SCHEMBL9721353 0.67 PADI4 (0.60) KDM4EPADI4ERN1MEN1ALDH1A1
SCHEMBL12322571 0.65 APP (0.62) NOX4APPALOX5MAPT
SCHEMBL6638868 0.65 ERN1 (0.67) APPERN1

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
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
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