SCHEMBL9149345

SCHEMBL9149345

Cc1ccc(OC(=O)Nc2cccc(O)c2C(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8653617 0.85 KMT2A (0.45) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9153721 0.83 KMT2A (0.54) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9149728 0.83 TRPV1 (0.53) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL8654626 0.83 GAA (0.56) KMT2ANPC1RAB9ATRPV1ALDH1A1
SCHEMBL8655082 0.82 TRPV1 (0.55) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9150654 0.81 NPC1 (0.55) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9150808 0.81 NPC1 (0.55) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9150855 0.80 MEN1 (0.62) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL8654717 0.80 MEN1 (0.51) KMT2ANPC1RAB9ANPSR1TRPV1
SCHEMBL9151062 0.80 ALDH1A1 (0.53) KMT2ARAB9AALDH1A1KDM4EHPGD

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
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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