SCHEMBL7828146

SCHEMBL7828146

O=[C]Oc1cc(Cl)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CDC25B P30305 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2499216 0.79 CYP1A2 (0.50) CYP2A6CYP1A2ALDH1A1MAPTCASP3
SCHEMBL18789067 0.76 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1MAPTCA1
SCHEMBL10897643 0.76 CYP1A2 (0.52) CYP2A6CYP1A2ALDH1A1MAPTCASP3
SCHEMBL97418 0.72 CYP1A2 (0.52) CYP2A6CYP1A2ALDH1A1MAPTCA1
SCHEMBL7839257 0.72 GPR84 (0.45) ALDH1A1MAPTL3MBTL1HSD17B10KDM4E
SCHEMBL7841910 0.72 CA1 (0.46) CYP2A6CYP1A2ALDH1A1MAPTCA1
SCHEMBL8129822 0.71 L3MBTL1 (0.42) CYP2A6CYP1A2ALDH1A1MAPTL3MBTL1
SCHEMBL20398651 0.71 GPR84 (0.46) CYP2A6CYP1A2ALDH1A1MAPTCA1
SCHEMBL183369 0.71 GPR84 (0.48) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL20398625 0.70 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1MAPTCA1

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