SCHEMBL7309902

SCHEMBL7309902

CC(C)C[C@H](C(=O)O)N(C)C(=O)C(CC(=O)c1ccco1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
ACE P12821 2/20 0.39
MME P08473 1/20 0.39
MIF P14174 1/20 0.39
CYP1A2 P05177 1/20 0.38
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7320285 0.86 LTA4H (0.52) LTA4HANPEPRNPEPDNPEPMMP2
SCHEMBL7320822 0.81 LTA4H (0.47) LTA4HANPEPRNPEPDNPEPMMP2
SCHEMBL7321248 0.81 LTA4H (0.47) LTA4HANPEPRNPEPDNPEPMMP2
SCHEMBL7321089 0.80 LTA4H (0.40) LTA4HMMP2MMP9MIFCYP1A2
SCHEMBL7318920 0.78 CPA1 (0.62) MMEMIFCYP1A2CPA1CPB1
SCHEMBL7313736 0.77 LTA4H (0.43) LTA4HANPEPRNPEPDNPEPCYP1A2
SCHEMBL7321257 0.77 LTA4H (0.43) LTA4HANPEPRNPEPDNPEPCYP1A2
SCHEMBL7317373 0.76 MME (0.65) LTA4HMMP2MMP9MMEMMP7
SCHEMBL7317368 0.76 MME (0.65) LTA4HMMP2MMP9MMEMMP7
SCHEMBL7310444 0.76 LTA4H (0.42) LTA4HANPEPRNPEPDNPEPMMP2

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
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed