SCHEMBL8657491

SCHEMBL8657491

O=C(Nc1cccc(C(=O)O)c1O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.55
TRPV1 Q8NER1 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 3/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
CXCR2 P25025 1/20 0.48

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
SCHEMBL9153663 0.94 KDM4E (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL9150490 0.91 TRPV1 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL9149405 0.89 NPC1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL9148439 0.89 KDM4E (0.49) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8657664 0.88 HSD17B10 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8658139 0.88 KMT2A (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL9147100 0.88 HSD17B10 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8654528 0.88 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL9147813 0.88 KDM4E (0.61) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL29659875 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTTRPV1NPC1

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
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