SCHEMBL7752844

SCHEMBL7752844

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NC(O)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.55
CPA1 P15085 2/20 0.49
CPA2 P48052 1/20 0.49
CPA4 Q9UI42 1/20 0.49
GRIA1 P42261 1/20 0.47
BACE1 P56817 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46
FOLH1 Q04609 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MME P08473 2/20 0.46
ACE P12821 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
REN P00797 1/20 0.45
OPRD1 P41143 1/20 0.44
GNPAT O15228 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL2314769 0.89 CASP1 (0.61) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL2314756 0.89 CASP1 (0.61) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL646595 0.89 CASP1 (0.55) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL7587214 0.85 SLC7A5 (0.52) OPRD1
SCHEMBL14370014 0.85 CASP1 (0.60) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL11569755 0.85 FOLH1 (0.58) CASP1CPA1BACE1BACE2FOLH1
SCHEMBL11569779 0.85 FOLH1 (0.58) CASP1CPA1BACE1BACE2FOLH1
SCHEMBL24310822 0.83 CASP1 (0.63) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL30031739 0.83 CASP1 (0.55) CASP1CPA1CPA2CPA4GRIA1
SCHEMBL7702992 0.83 CASP1 (0.53) CASP1CPA1CPA2CPA4GRIA1

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-2001049856-A2 DROSOPHILA ENZYMES, ENCODING NUCLEIC ACIDS AND METHODS OF USE GENOPTERA, LLC (US) 2001-07-12 WO disclosed