SCHEMBL2597713

SCHEMBL2597713

CCOC(=O)Cc1ccccc1C(=O)OCC.[O-][S+](Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
PKM P14618 1/20 0.45
CDC25B P30305 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 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
SCHEMBL1898535 0.91 TSHR (0.67) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL7422565 0.81 TSHR (0.51) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL14613161 0.80 TSHR (0.50) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL1492404 0.80 TSHR (0.65) TSHRL3MBTL1ALDH1A1HSD17B10CDC25B
SCHEMBL2644268 0.80 TSHR (0.56) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL13032652 0.79 TSHR (0.67) TSHRL3MBTL1ALDH1A1HSD17B10CDC25B
SCHEMBL1492385 0.79 TSHR (0.67) TSHRL3MBTL1ALDH1A1HSD17B10CDC25B
SCHEMBL1567252 0.79 TSHR (0.52) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL28600642 0.79 TSHR (0.52) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL6959476 0.79 TSHR (0.67) TSHRL3MBTL1ALDH1A1HSD17B10CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed