SCHEMBL8655003

SCHEMBL8655003

C=CCOC(=O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL8655872 0.89 MAPT (0.57) KMT2APKMCYP2D6HPGDHSD17B10
SCHEMBL10073257 0.87 KMT2A (0.51) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL24133057 0.85 MEN1 (0.46) KMT2AMAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL24132594 0.85 MEN1 (0.52) KMT2AMAPK1CYP1A2CYP2C9HPGD
SCHEMBL9153426 0.85 KMT2A (0.44) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL8602686 0.81 RAB9A (0.70) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL11189591 0.79 KMT2A (0.58) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL8599550 0.79 HPGD (0.56) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL9146999 0.79 KMT2A (0.51) KMT2APKMMAPK1CYP1A2CYP2D6
SCHEMBL16885017 0.78 CSNK2A2 (0.60) KMT2APKMMAPK1RAB9AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed
EP-0630758-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1994-12-28 EP disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed