SCHEMBL7828591

SCHEMBL7828591

CCOc1cccc(NC(=O)CCC[O])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
HSD17B10 Q99714 1/20 0.64
CASP3 P42574 1/20 0.58
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 2/20 0.53
MTNR1B P49286 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL7828595 0.89 HTT (0.64) HTTHSD17B10CASP3LMNAMAPT
SCHEMBL7839144 0.85 THRB (0.63) HTTLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8650865 0.84 HTT (0.65) HTTHSD17B10CASP3MAPK1SMN1; SMN2
SCHEMBL21232451 0.84 HTT (0.58) HTTHSD17B10CASP3SMN1; SMN2KMT2A
SCHEMBL1142037 0.84 HTT (0.72) HTTHSD17B10CASP3LMNASMN1; SMN2
SCHEMBL11639865 0.81 HTT (0.68) HTTHSD17B10CASP3LMNASMN1; SMN2
SCHEMBL11547327 0.81 HTT (0.68) HTTHSD17B10CASP3LMNASMN1; SMN2
SCHEMBL9182149 0.80 ALDH1A1 (0.79) HTTHSD17B10MAPK1SMN1; SMN2KMT2A
SCHEMBL10264545 0.79 SMN1; SMN2 (0.67) HTTHSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL28208041 0.79 HTT (0.65) HTTHSD17B10CASP3LMNAMAPT

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-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP disclosed