SCHEMBL2317481

SCHEMBL2317481

O=C(O)C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.57
MME P08473 5/20 0.56
FFAR2 O15552 1/20 0.55
PSMB8 P28062 1/20 0.51
PSMB5 P28074 1/20 0.51
MMEL1 Q495T6 3/20 0.50
CNR2 P34972 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
NPY5R Q15761 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3A P49840 1/20 0.46
MAPK10 P53779 1/20 0.46
RIOK2 Q9BVS4 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
SCHEMBL2314462 1.00 PIN1 (0.57) PIN1MMEFFAR2PSMB8PSMB5
SCHEMBL2314452 1.00 PIN1 (0.57) PIN1MMEFFAR2PSMB8PSMB5
SCHEMBL2316350 0.95 FFAR2 (0.61) PIN1MMEFFAR2PSMB8PSMB5
SCHEMBL2316357 0.95 FFAR2 (0.61) PIN1MMEFFAR2PSMB8PSMB5
SCHEMBL2315069 0.92 PIN1 (0.59) PIN1MMEFFAR2CNR2NR1H4
SCHEMBL2314616 0.92 PIN1 (0.59) PIN1MMEFFAR2CNR2NR1H4
SCHEMBL2314623 0.92 PIN1 (0.59) PIN1MMEFFAR2CNR2NR1H4
SCHEMBL2312680 0.90 FFAR2 (0.70) PIN1MMEFFAR2MMEL1NR1H4
SCHEMBL2312655 0.90 FFAR2 (0.70) PIN1MMEFFAR2MMEL1NR1H4
SCHEMBL2312663 0.90 FFAR2 (0.70) PIN1MMEFFAR2MMEL1NR1H4

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