SCHEMBL5826299

SCHEMBL5826299

C=CCOC(=O)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.46
CASR P41180 1/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HSD17B10 Q99714 4/20 0.41
TSHR P16473 1/20 0.41
CXCR2 P25025 1/20 0.41
MAPK1 P28482 2/20 0.39
ALB P02768 1/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.38
CASP1 P29466 2/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL29816603 0.87 CYP3A4 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL18992058 0.82 MEN1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9147560 0.82 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9147553 0.82 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9153577 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL8955458 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL8657991 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9147528 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL8653401 0.81 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2ACYP3A4
SCHEMBL8653894 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006264122-A THERMOSENSITIVE RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD 2006-10-05 JP disclosed
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US 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-5346878-A Preservation stability of white portions and images MITSUI TOATSU CHEMICALS, INC. (JP) 1994-09-13 US 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