SCHEMBL9125818

SCHEMBL9125818

O=C(Nc1cc(Oc2ccc(-c3ccc(O)cc3)c(NC(=O)Oc3ccc(Oc4ccccc4)cc3)c2)ccc1-c1ccc(O)cc1)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ BAX Q07812 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GSTP1 P09211 1/20 0.44
▸ STK39 Q9UEW8 1/20 0.42
▸ GLA P06280 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 2/20 0.41

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
SCHEMBL9126089 0.99 TRPV1 (0.51) TRPV1KMT2AMEN1LTA4HNR1H2
SCHEMBL9124995 0.87 MAPT (0.42) TRPV1KMT2AMEN1KDM4EGAA
SCHEMBL9123560 0.84 TRPV1 (0.49) TRPV1KMT2AMEN1KDM4EGAA
SCHEMBL9125161 0.83 KMT2A (0.44) TRPV1KMT2AMEN1KDM4EGAA
SCHEMBL9126066 0.82 CRHBP (0.48) TRPV1KMT2AMEN1KDM4EGAA
SCHEMBL9126625 0.80 THRA (0.44) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL9128338 0.79 KDM4E (0.43) TRPV1KMT2AMEN1NR1H2KDM4E
SCHEMBL9125812 0.79 TRPV1 (0.52) TRPV1KMT2AMEN1LTA4HNR1H2
SCHEMBL9124295 0.75 SMN1; SMN2 (0.49) LTA4HNR1H2KDM4EMAPTALDH1A1
SCHEMBL9126479 0.74 MAPT (0.53) TRPV1KMT2AMEN1KDM4EGAA

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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