SCHEMBL2314616

SCHEMBL2314616

O=C(O)C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.59
NR1H4 Q96RI1 1/20 0.54
FFAR2 O15552 1/20 0.54
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MME P08473 3/20 0.47
UTS2R Q9UKP6 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
FCER2 P06734 1/20 0.47
CASP1 P29466 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
SCHEMBL2315069 1.00 PIN1 (0.59) PIN1NR1H4FFAR2KDM4ELMNA
SCHEMBL2314623 1.00 PIN1 (0.59) PIN1NR1H4FFAR2KDM4ELMNA
SCHEMBL2320209 0.92 PIN1 (0.55) PIN1NR1H4FFAR2MMECNR2
SCHEMBL2317481 0.92 PIN1 (0.57) PIN1NR1H4FFAR2KMT2AMME
SCHEMBL2314452 0.92 PIN1 (0.57) PIN1NR1H4FFAR2KMT2AMME
SCHEMBL2320218 0.92 PIN1 (0.55) PIN1NR1H4FFAR2MMECNR2
SCHEMBL2314462 0.92 PIN1 (0.57) PIN1NR1H4FFAR2KMT2AMME
SCHEMBL2313120 0.91 PIN1 (0.54) PIN1NR1H4FFAR2MEN1POLB
SCHEMBL2313112 0.91 PIN1 (0.54) PIN1NR1H4FFAR2MEN1POLB
SCHEMBL2315766 0.89 MME (0.55) PIN1NR1H4FFAR2MEN1KMT2A

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