SCHEMBL9721245

SCHEMBL9721245

Oc1cc(-c2ccc(O)c3c(O)c(O)c(O)cc23)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ RECQL P46063 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTPRS Q13332 1/20 0.41
▸ RGS17 Q9UGC6 1/20 0.41
▸ CD38 P28907 3/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ SNCA P37840 6/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ AMY1A P0DUB6 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
SCHEMBL9721302 0.84 TLR8 (0.35) MAPTHPGDALOX15HSD17B10KDM4E
SCHEMBL9721311 0.79 MAOA (0.36) CYP3A4PIM1APP
SCHEMBL9721418 0.75 CA1 (0.36) MAPTHPGDALOX15RECQLHSD17B10
SCHEMBL9721278 0.69 KDM4E (0.40) MAPTHPGDALOX15RECQLHSD17B10
SCHEMBL9721297 0.67 CA1 (0.43) MAPTHPGDALOX15HSD17B10KDM4E
SCHEMBL9721286 0.66 APP (0.60) MAPTSNCAAPP
SCHEMBL9721291 0.64 TLR8 (0.36) MAPTHPGDALOX15HSD17B10TDP1
SCHEMBL6244870 0.64 BACE1 (0.46) MAPTHPGDKDM4EMEN1ALDH1A1
SCHEMBL25183526 0.64 SELL (0.53) MAPTHPGDALOX15RECQLHSD17B10
SCHEMBL17322417 0.63 APP (0.48) MAPTALOX15HSD17B10MEN1CYP3A4

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
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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