SCHEMBL7582249

SCHEMBL7582249

CCOC(=O)c1ccc(Cl)c(N)c1CSC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7573645 0.83 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL8729669 0.83 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL23413057 0.81 ALDH1A1 (0.53) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL7575316 0.80 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL7574285 0.79 ALDH1A1 (0.51) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL27328681 0.78 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL7584851 0.75 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL11471582 0.74 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL8724617 0.73 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL110117 0.73 ALDH1A1 (0.60) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed