SCHEMBL2319286

SCHEMBL2319286

O=C(O)C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.53
MME P08473 4/20 0.52
FFAR2 O15552 1/20 0.48
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMEL1 Q495T6 2/20 0.46
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CXCR4 P61073 1/20 0.44
HSD17B2 P37059 1/20 0.44
FDFT1 P37268 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
TACR1 P25103 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL2319293 1.00 PIN1 (0.53) PIN1MMEFFAR2RAB9AGFER
SCHEMBL2316129 0.89 MME (0.53) PIN1MMEFFAR2RAB9AGFER
SCHEMBL2316133 0.89 MME (0.53) PIN1MMEFFAR2RAB9AGFER
SCHEMBL2317678 0.87 MME (0.60) MMEFFAR2RAB9AGFERSMN1; SMN2
SCHEMBL2317684 0.87 MME (0.60) MMEFFAR2RAB9AGFERSMN1; SMN2
SCHEMBL2316441 0.86 FFAR2 (0.53) PIN1MMEFFAR2MMEL1MEN1
SCHEMBL2316070 0.86 FFAR2 (0.53) PIN1MMEFFAR2MMEL1MEN1
SCHEMBL2316077 0.86 FFAR2 (0.53) PIN1MMEFFAR2MMEL1MEN1
SCHEMBL2317481 0.86 PIN1 (0.57) PIN1MMEFFAR2MMEL1KMT2A
SCHEMBL2314462 0.86 PIN1 (0.57) PIN1MMEFFAR2MMEL1KMT2A

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