SCHEMBL9128338

SCHEMBL9128338

O=C(Nc1cc(Sc2ccc(-c3ccc(O)cc3)c(NC(=O)Oc3ccc(O)cc3)c2)ccc1-c1ccc(O)cc1)Oc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ NR1H2 P55055 1/20 0.34

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
SCHEMBL9123560 0.94 TRPV1 (0.49) KDM4EMAPTGAAGLATHRB
SCHEMBL9124014 0.89 MAPT (0.39) KDM4EMAPTGAAGLATHRB
SCHEMBL9126992 0.88 GAA (0.42) KDM4EMAPTGAAGLATHRB
SCHEMBL9126089 0.80 TRPV1 (0.51) KDM4EMAPTGAAGLATHRB
SCHEMBL9125818 0.79 TRPV1 (0.50) KDM4EMAPTGAAGLATHRB
SCHEMBL9124995 0.79 MAPT (0.42) KDM4EMAPTGAAGLATHRB
SCHEMBL9125379 0.78 ALDH1A1 (0.42) KDM4EMAPTGAAGLAKMT2A
SCHEMBL9126526 0.78 MEN1 (0.45) MAPTKMT2AMEN1CYP1A2NPC1
SCHEMBL9126193 0.76 ALDH1A1 (0.40) KDM4EMAPTGAAGLAKMT2A
SCHEMBL9126684 0.74 NPC1 (0.34) KDM4EMAPTGAAKMT2AMEN1

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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