SCHEMBL7093219

SCHEMBL7093219

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.N#Cc1cccc(NC2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
FPR2 P25090 2/20 0.42
FPR1 P21462 1/20 0.42
F10 P00742 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 2/20 0.41
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.40
MLNR O43193 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PI4KB Q9UBF8 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL7143506 0.99 USP30 (0.44) USP30FPR2FPR1F10CYP3A4
SCHEMBL7087783 0.90 F10 (0.44) FPR2F10MAPK14TSHRKDR
SCHEMBL7092565 0.89 F10 (0.45) FPR2FPR1F10MAPK14TSHR
SCHEMBL6999615 0.84 F10 (0.52) F10
SCHEMBL6995330 0.84 F10 (0.42) USP30FPR2FPR1F10CYP3A4
SCHEMBL6993750 0.83 FPR2 (0.42) USP30FPR2FPR1F10CYP3A4
SCHEMBL7409047 0.82 F10 (0.44) USP30F10MAPK14KDRKMT2A
Cyclopentane SCHEMBL7093842 0.81 FPR2 (0.52) FPR2FPR1F10CYP3A4CYP2D6
SCHEMBL7078594 0.79 F10 (0.41) USP30FPR2FPR1F10KDR
SCHEMBL7084412 0.79 F10 (0.45) USP30FPR2FPR1F10MAPK14

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-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed