SCHEMBL9721232

SCHEMBL9721232

O=Cc1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.46
▸ ERN1 O75460 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL9721275 0.85 TLR8 (0.40) ERN1KDM4EMAPT
SCHEMBL9721333 0.79 ERN1 (0.42) ERN1PTGS2MAPT
SCHEMBL9721340 0.76 ERN1 (0.46) ERN1KDM4ERAB9AMAPT
SCHEMBL21484877 0.75 APP (0.64) APPERN1KDM4EPTGS2RAB9A
SCHEMBL6638868 0.74 ERN1 (0.67) APPERN1
SCHEMBL9721301 0.73 ERN1 (0.47) ERN1
SCHEMBL31339466 0.71 HPGD (0.46) ERN1KDM4EMAPT
SCHEMBL9721295 0.71 HPGD (0.46) ERN1KDM4EMAPT
SCHEMBL9721278 0.71 KDM4E (0.40) ERN1KDM4EMAPT
SCHEMBL9721268 0.71 NOX4 (0.42) APPERN1KDM4EPTGS2RAB9A

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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