SCHEMBL7325810

SCHEMBL7325810

NC(Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.57
MME P08473 2/20 0.57
SLC1A1 P43005 1/20 0.53
PPARA Q07869 2/20 0.53
CTSC P53634 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
PPARG P37231 1/20 0.48
LTA4H P09960 1/20 0.48
OPRK1 P41145 1/20 0.47
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
SLC15A1 P46059 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
SCHEMBL7325817 1.00 FOLH1 (0.57) FOLH1MMESLC1A1PPARACTSC
SCHEMBL7318491 0.95 MME (0.56) FOLH1MMESLC1A1PPARACTSC
SCHEMBL7318482 0.93 MME (0.51) FOLH1MMESLC1A1PPARACTSC
SCHEMBL11686831 0.92 PPARG (0.56) FOLH1MMEPPARAPPARGLTA4H
SCHEMBL9001062 0.92 PPARG (0.56) FOLH1MMEPPARAPPARGLTA4H
SCHEMBL7318238 0.84 GNPAT (0.61) FOLH1MMEPPARAPPARGMMP9
SCHEMBL7318248 0.84 GNPAT (0.61) FOLH1MMEPPARAPPARGMMP9
SCHEMBL1329567 0.84 MME (0.67) MMECTSCALPIPKMPTGS1
SCHEMBL825577 0.84 MME (0.67) MMECTSCALPIPKMPTGS1
SCHEMBL5065345 0.84 MME (0.67) MMECTSCALPIPKMPTGS1

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
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed