SCHEMBL2317682

SCHEMBL2317682

O=C(O)C[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.50
MMEL1 Q495T6 2/20 0.49
MME P08473 6/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2317691 1.00 FFAR2 (0.50) FFAR2MMEL1MMERAB9AMEN1
SCHEMBL2319212 0.87 MME (0.62) FFAR2MMEL1MMERAB9AMEN1
SCHEMBL2319208 0.87 MME (0.62) FFAR2MMEL1MMERAB9AMEN1
SCHEMBL2320587 0.85 FFAR2 (0.58) FFAR2MMEL1MMEMEN1KMT2A
SCHEMBL2320594 0.85 FFAR2 (0.58) FFAR2MMEL1MMEMEN1KMT2A
SCHEMBL2319115 0.85 PIN1 (0.53) FFAR2MMERAB9AALDH1A1LMNA
SCHEMBL2319108 0.85 PIN1 (0.53) FFAR2MMERAB9AALDH1A1LMNA
SCHEMBL2314791 0.82 HPGD (0.60) FFAR2MMEL1MMERAB9AMEN1
SCHEMBL2314782 0.82 HPGD (0.60) FFAR2MMEL1MMERAB9AMEN1
SCHEMBL2315872 0.82 MME (0.58) FFAR2MMEL1MMEMEN1KMT2A

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