SCHEMBL9127326

SCHEMBL9127326

Cc1c(NC(=O)Oc2ccccc2)ccc(Sc2ccc(NC(=O)Oc3ccccc3)c(C)c2-c2cccc(O)c2)c1-c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.47
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PORCN Q9H237 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 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
SCHEMBL9126664 0.85 TRPV1 (0.51) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9125474 0.79 TRPV1 (0.53) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9125372 0.76 KMT2A (0.47) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9124526 0.76 ALDH1A1 (0.50) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9123553 0.75 TRPV1 (0.54) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL11076373 0.73 KMT2A (0.58) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9126189 0.72 TRPV1 (0.43) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9128923 0.71 PORCN (0.60) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL1952349 0.70 KMT2A (0.62) TRPV1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL9128334 0.70 KMT2A (0.48) TRPV1KMT2AALDH1A1MEN1CYP1A2

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
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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