SCHEMBL9147100

SCHEMBL9147100

CC(=O)Oc1ccc(OC(=O)Nc2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 8/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
PKM P14618 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CASR P41180 1/20 0.43
ELANE P08246 1/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43

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
SCHEMBL8654528 0.89 ALDH1A1 (0.56) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL8657664 0.89 HSD17B10 (0.51) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL9150490 0.89 TRPV1 (0.52) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL8657491 0.88 ALDH1A1 (0.56) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL9148439 0.86 KDM4E (0.49) ALDH1A1KDM4EHPGDCYP1A2LMNA
SCHEMBL9153663 0.86 KDM4E (0.51) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL8658139 0.86 KMT2A (0.51) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL9147813 0.86 KDM4E (0.61) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL9150853 0.85 KDM4E (0.59) HSD17B10MAPK1ALOX15ALDH1A1KDM4E
SCHEMBL9153561 0.84 ALDH1A1 (0.46) HSD17B10MAPK1ALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US 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