SCHEMBL2313112

SCHEMBL2313112

O=C(O)C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.54
NR1H4 Q96RI1 1/20 0.49
EGLN2 Q96KS0 2/20 0.47
EGLN1 Q9GZT9 2/20 0.47
MME P08473 2/20 0.47
FFAR2 O15552 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SRD5A2 P31213 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
EPHX2 P34913 3/20 0.44
LTA4H P09960 2/20 0.44
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL2313120 1.00 PIN1 (0.54) PIN1NR1H4EGLN2EGLN1MME
SCHEMBL2315069 0.91 PIN1 (0.59) PIN1NR1H4MMEFFAR2MEN1
SCHEMBL2314616 0.91 PIN1 (0.59) PIN1NR1H4MMEFFAR2MEN1
SCHEMBL2314623 0.91 PIN1 (0.59) PIN1NR1H4MMEFFAR2MEN1
SCHEMBL2320209 0.87 PIN1 (0.55) PIN1NR1H4MMEFFAR2
SCHEMBL2320218 0.87 PIN1 (0.55) PIN1NR1H4MMEFFAR2
SCHEMBL2314452 0.87 PIN1 (0.57) PIN1NR1H4MMEFFAR2KMT2A
SCHEMBL2317481 0.87 PIN1 (0.57) PIN1NR1H4MMEFFAR2KMT2A
SCHEMBL2314462 0.87 PIN1 (0.57) PIN1NR1H4MMEFFAR2KMT2A
SCHEMBL2314779 0.85 FFAR2 (0.66) EGLN2EGLN1MMEFFAR2MEN1

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