SCHEMBL9123560

SCHEMBL9123560

O=C(Nc1cc(Sc2ccc(-c3ccc(O)cc3)c(NC(=O)Oc3ccccc3)c2)ccc1-c1ccc(O)cc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GLA P06280 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NR1I2 O75469 1/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ THRB P10828 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
SCHEMBL9128338 0.94 KDM4E (0.43) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9125379 0.85 ALDH1A1 (0.42) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9126089 0.85 TRPV1 (0.51) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9125818 0.84 TRPV1 (0.50) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9124014 0.83 MAPT (0.39) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9126992 0.82 GAA (0.42) TRPV1KMT2AMEN1MAPTKDM4E
SCHEMBL9126193 0.82 ALDH1A1 (0.40) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9122885 0.75 ALDH1A1 (0.52) TRPV1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9126526 0.75 MEN1 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9123553 0.74 TRPV1 (0.54) TRPV1KMT2AMEN1ALDH1A1MAPT

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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