SCHEMBL9126189

SCHEMBL9126189

CC(C)c1cc(-c2c(NC(=O)Oc3ccccc3)cccc2Sc2cccc(NC(=O)Oc3ccccc3)c2-c2ccc(O)c(C(C)C)c2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 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
SCHEMBL9126621 0.86 KMT2A (0.44) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9125372 0.86 KMT2A (0.47) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9123553 0.81 TRPV1 (0.54) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9126193 0.80 ALDH1A1 (0.40) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9126625 0.77 THRA (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9128334 0.75 KMT2A (0.48) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13437400 0.73 NLRP3 (0.56) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10489762 0.73 ALDH1A1 (0.49) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9127326 0.72 TRPV1 (0.47) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9125156 0.71 KMT2A (0.48) TRPV1KMT2AMEN1ALDH1A1KDM4E

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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