SCHEMBL2312583

SCHEMBL2312583

O=C(O)CC(Cc1cccc(C(F)(F)F)c1)NC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.72
PIN1 Q13526 1/20 0.67
MME P08473 3/20 0.62
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.49
SMYD3 Q9H7B4 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CNR2 P34972 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2312580 1.00 FFAR2 (0.72) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2320355 0.96 PIN1 (0.69) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2320363 0.96 PIN1 (0.69) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2318899 0.94 FFAR2 (0.82) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2316618 0.94 FFAR2 (0.82) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2316614 0.94 FFAR2 (0.82) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2315266 0.92 PIN1 (0.74) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2320240 0.92 PIN1 (0.74) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2314866 0.92 PIN1 (0.74) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2320231 0.92 PIN1 (0.74) FFAR2PIN1MMEMEN1MAPT

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