SCHEMBL31552891

SCHEMBL31552891

O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.77
▸ MAPT P10636 7/20 0.77
▸ KDM4E B2RXH2 6/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ TP53 P04637 5/20 0.77
▸ HSD17B10 Q99714 4/20 0.77
▸ CYP19A1 P11511 4/20 0.77
▸ ALOX15 P16050 3/20 0.77
▸ ALOX12 P18054 1/20 0.77
▸ CASP1 P29466 1/20 0.77
▸ CASP7 P55210 1/20 0.77
▸ CYP3A4 P08684 6/20 0.73
▸ NPC1 O15118 4/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ MAPK1 P28482 4/20 0.73
▸ IP6K2 Q9UHH9 3/20 0.73
▸ RAB9A P51151 3/20 0.73
▸ MAOA P21397 3/20 0.73
▸ MAOB P27338 3/20 0.73
▸ MPO P05164 2/20 0.73

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
SCHEMBL3515838 1.00 HPGD (0.77) HPGDMAPTKDM4ESMN1; SMN2TP53
Flavanone SCHEMBL29678059 0.87 TP53 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
Flavanone SCHEMBL980197 0.87 TP53 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL2218499 0.87 POLH (0.75) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL31741263 0.85 MAPT (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL311405 0.85 MAPT (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL6242651 0.85 HPGD (0.69) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL157723 0.85 CYP3A4 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL31167385 0.85 CYP3A4 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL25201659 0.84 KDM4E (0.73) HPGDMAPTKDM4ESMN1; SMN2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775247-A Transient receptor potential cation channel TRPV3 inhibitor and application thereof 苏中药业集团股份有限公司 2025-04-08 — — CN disclosed
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