SCHEMBL9721312

SCHEMBL9721312

O=Cc1c(C=O)c(O)c2c(O)c(O)c(O)cc2c1-c1cc(O)c(O)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PTPRS Q13332 1/20 0.33
▸ RGS17 Q9UGC6 1/20 0.33
▸ ERN1 O75460 3/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LDHA P00338 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
SCHEMBL9721380 0.80 CYP3A4 (0.39) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9721310 0.79 CYP3A4 (0.35) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9721303 0.70 SELL (0.37) MAPK8KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL9721278 0.70 KDM4E (0.40) MAPK8KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL9721268 0.70 NOX4 (0.42) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL10454966 0.70 CYP3A4 (0.35) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9721287 0.70 AKR1B1 (0.40) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9721322 0.70 CYP3A4 (0.40) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9721316 0.65 ERN1 (0.39) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL31648926 0.63 CYP3A4 (0.48) KDM4ECYP3A4MAPTERN1USP2

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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