SCHEMBL2318192

SCHEMBL2318192

Cc1cc(C)cc(CC(=O)N[C@H](CC(=O)O)Cc2ccc(C#N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.53
FFAR2 O15552 1/20 0.46
PIN1 Q13526 1/20 0.45
IDO1 P14902 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
MMEL1 Q495T6 3/20 0.41
CNR1 P21554 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 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
SCHEMBL2318197 1.00 MME (0.53) MMEFFAR2PIN1IDO1CTSL
SCHEMBL2316001 0.90 MME (0.56) MMEFFAR2PIN1CTSLCTSB
SCHEMBL2315994 0.90 MME (0.56) MMEFFAR2PIN1CTSLCTSB
SCHEMBL2314812 0.87 MME (0.53) MMEFFAR2PIN1IDO1CTSL
SCHEMBL2314809 0.87 MME (0.53) MMEFFAR2PIN1IDO1CTSL
SCHEMBL2315209 0.84 MME (0.50) MMEFFAR2PIN1MMEL1
SCHEMBL2315216 0.84 MME (0.50) MMEFFAR2PIN1MMEL1
SCHEMBL2318057 0.83 MME (0.53) MMEFFAR2PIN1MMEL1CNR1
SCHEMBL2318052 0.83 MME (0.53) MMEFFAR2PIN1MMEL1CNR1
SCHEMBL2315820 0.81 FFAR2 (0.68) MMEFFAR2PIN1

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 1 patent. 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