SCHEMBL7373769

SCHEMBL7373769

CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.74
PSMB5 P28074 1/20 0.64
MMP2 P08253 1/20 0.61
MMP7 P09237 1/20 0.61
MMP9 P14780 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61
ECE1 P42892 1/20 0.60
MME P08473 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CPA1 P15085 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL10030547 1.00 ACE (0.74) ACEPSMB5MMP2MMP7MMP9
SCHEMBL19292528 0.90 ACE (0.70) ACEPSMB5MMP2MMP7MMP9
SCHEMBL17996007 0.90 ACE (0.70) ACEPSMB5MMP2MMP7MMP9
SCHEMBL21246822 0.89 ACE (0.68) ACEPSMB5MMP2MMP7MMP9
SCHEMBL21246823 0.89 ACE (0.68) ACEPSMB5MMP2MMP7MMP9
SCHEMBL16330731 0.88 FCER2 (0.63) ACEPSMB5MMP2MMP7MMP9
SCHEMBL15730731 0.88 FOLH1 (0.68) ACEPSMB5MMECPA1ACE2
SCHEMBL6303137 0.87 PSMB5 (0.67) ACEPSMB5ECE1MME
SCHEMBL13956887 0.86 PSMB5 (0.67) ACEPSMB5MMP2MMP7MMP9
SCHEMBL27418074 0.86 ALDH1A1 (0.64) ACEPSMB5

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
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed