SCHEMBL2320355

SCHEMBL2320355

O=C(O)C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.69
FFAR2 O15552 3/20 0.67
MME P08473 4/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
CNR2 P34972 2/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KDM4E B2RXH2 1/20 0.50
XBP1 P17861 1/20 0.50
ALOX12 P18054 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2320363 1.00 PIN1 (0.69) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2312583 0.96 FFAR2 (0.72) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2312580 0.96 FFAR2 (0.72) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2320240 0.91 PIN1 (0.74) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2320231 0.91 PIN1 (0.74) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2314866 0.91 PIN1 (0.74) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2315266 0.91 PIN1 (0.74) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2314874 0.91 PIN1 (0.74) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2316618 0.91 FFAR2 (0.82) PIN1FFAR2MMEMEN1KMT2A
SCHEMBL2318899 0.91 FFAR2 (0.82) PIN1FFAR2MMEMEN1KMT2A

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