SCHEMBL7318482

SCHEMBL7318482

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
FOLH1 Q04609 1/20 0.51
PPARA Q07869 2/20 0.47
SLC1A1 P43005 1/20 0.47
CTSC P53634 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
PPARG P37231 1/20 0.43
OPRK1 P41145 1/20 0.43
LTA4H P09960 1/20 0.43
CPA1 P15085 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL7325810 0.93 FOLH1 (0.57) MMEFOLH1PPARASLC1A1CTSC
SCHEMBL7325817 0.93 FOLH1 (0.57) MMEFOLH1PPARASLC1A1CTSC
SCHEMBL7318491 0.91 MME (0.56) MMEFOLH1PPARASLC1A1CTSC
SCHEMBL7328439 0.86 GNPAT (0.55) MMEFOLH1PPARAPPARGMMP9
SCHEMBL9001062 0.85 PPARG (0.56) MMEFOLH1PPARAPPARGLTA4H
SCHEMBL11686831 0.85 PPARG (0.56) MMEFOLH1PPARAPPARGLTA4H
SCHEMBL7326797 0.83 TACR1 (0.56)
SCHEMBL13739577 0.81 NAALAD2 (0.51) MMECTSCALPIPKMPTGS1
SCHEMBL7318238 0.78 GNPAT (0.61) MMEFOLH1PPARAPPARGMMP9
SCHEMBL7318248 0.78 GNPAT (0.61) MMEFOLH1PPARAPPARGMMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed