SCHEMBL9126084

SCHEMBL9126084

O=C(Nc1cccc(Oc2cccc(NC(=O)Oc3ccccc3)c2-c2ccc(O)cc2)c1-c1ccc(O)cc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.55
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GLA P06280 2/20 0.40
▸ RAD51 Q06609 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL9125812 0.96 TRPV1 (0.52) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9124991 0.88 KDM4E (0.44) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9125156 0.83 KMT2A (0.48) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9123553 0.83 TRPV1 (0.54) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9126061 0.82 MAPT (0.47) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9561938 0.81 TRPV1 (0.49) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9126621 0.80 KMT2A (0.44) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9128334 0.77 KMT2A (0.48) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9124646 0.75 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9127280 0.75 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1KDM4EMAPT

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
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
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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