SCHEMBL2314916

SCHEMBL2314916

O=C(O)CC(Cc1cccc(Cl)c1)NC(=O)Cc1ccsc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.62
MMEL1 Q495T6 9/20 0.52
MME P08473 4/20 0.52
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACE P12821 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
SCHEMBL2314911 1.00 FFAR2 (0.62) FFAR2MMEL1MMEPOLBMEN1
SCHEMBL2313265 0.88 FFAR2 (0.77) FFAR2MMEL1MMEMEN1ALDH1A1
SCHEMBL2313273 0.88 FFAR2 (0.77) FFAR2MMEL1MMEMEN1ALDH1A1
SCHEMBL2317645 0.86 MME (0.59) FFAR2MMEL1MMEPOLBHPGD
SCHEMBL2318159 0.86 MME (0.59) FFAR2MMEL1MMEPOLBHPGD
SCHEMBL2317640 0.86 MME (0.59) FFAR2MMEL1MMEPOLBHPGD
SCHEMBL2316468 0.85 FFAR2 (0.47) FFAR2MMEL1MMEPOLB
SCHEMBL2316475 0.85 FFAR2 (0.47) FFAR2MMEL1MMEPOLB
SCHEMBL2314323 0.84 FFAR2 (0.59) FFAR2MMEMEN1KMT2ANPC1
SCHEMBL2314316 0.84 FFAR2 (0.59) FFAR2MMEMEN1KMT2ANPC1

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