SCHEMBL2317792

SCHEMBL2317792

Cc1ccc(CC(CC(=O)O)NC(=O)Cc2ccsc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.47
PSMB8 P28062 1/20 0.45
PSMB5 P28074 1/20 0.45
FFAR2 O15552 1/20 0.45
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MMEL1 Q495T6 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2317781 1.00 MME (0.47) MMEPSMB8PSMB5FFAR2KEAP1
SCHEMBL2317640 0.88 MME (0.59) MMEPSMB8PSMB5FFAR2CNR2
SCHEMBL2317645 0.88 MME (0.59) MMEPSMB8PSMB5FFAR2CNR2
SCHEMBL2318159 0.88 MME (0.59) MMEPSMB8PSMB5FFAR2CNR2
SCHEMBL2315810 0.85 FFAR2 (0.64) MMEFFAR2CNR2
SCHEMBL2315802 0.85 FFAR2 (0.64) MMEFFAR2CNR2
SCHEMBL2317023 0.84 MEN1 (0.51) MMEFFAR2NPC1RAB9AKMT2A
SCHEMBL2317033 0.84 MEN1 (0.51) MMEFFAR2NPC1RAB9AKMT2A
SCHEMBL2317300 0.83 PSMB8 (0.64) MMEPSMB8PSMB5FFAR2KEAP1
SCHEMBL2317301 0.83 PSMB8 (0.64) MMEPSMB8PSMB5FFAR2KEAP1

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed