SCHEMBL2313579

SCHEMBL2313579

N#Cc1cccc(C[C@@H](CC(=O)O)NC(=O)Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.58
▸ MME P08473 6/20 0.57
▸ FFAR2 O15552 1/20 0.54
▸ CNR1 P21554 2/20 0.48
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ MMEL1 Q495T6 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ FFAR1 O14842 2/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MAPK8 P45983 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
SCHEMBL2313586 1.00 PIN1 (0.58) PIN1MMEFFAR2CNR1ERCC1
SCHEMBL2318052 0.89 MME (0.53) PIN1MMEFFAR2CNR1MMEL1
SCHEMBL2318057 0.89 MME (0.53) PIN1MMEFFAR2CNR1MMEL1
SCHEMBL2320587 0.87 FFAR2 (0.58) MMEFFAR2MMEL1LMNAFFAR1
SCHEMBL2320594 0.87 FFAR2 (0.58) MMEFFAR2MMEL1LMNAFFAR1
SCHEMBL2315599 0.86 FFAR2 (0.71) MMEFFAR2MMEL1
SCHEMBL2320620 0.86 FFAR2 (0.71) MMEFFAR2MMEL1
SCHEMBL2320630 0.86 FFAR2 (0.71) MMEFFAR2MMEL1
SCHEMBL2315608 0.86 FFAR2 (0.71) MMEFFAR2MMEL1
SCHEMBL2319372 0.84 FFAR2 (0.57) MMEFFAR2MMEL1FFAR1

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
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