SCHEMBL8997341

SCHEMBL8997341

Cc1ccccc1CC(C(=O)O)N(C=O)C(=O)C(N)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
SLC1A5 Q15758 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
LARS1 Q9P2J5 1/20 0.36
LTA4H P09960 1/20 0.36
SLC7A5 Q01650 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL9387444 0.87 ANPEP (0.39) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL9440161 0.87 SLC1A5 (0.39) SLC1A5PPARGPPARAMEN1ALDH1A1
SCHEMBL8727965 0.80 CTSK (0.35) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL154435 0.80 FNTA (0.34) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL287362 0.74 PPARG (0.48) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL29045686 0.73 ANPEP (0.41) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL27305323 0.72 PPARG (0.44) SLC1A5PPARGPPARAMEN1ALDH1A1
SCHEMBL30534322 0.71 ANPEP (0.56) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL27926021 0.71 ANPEP (0.56) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL29379111 0.70 NOS3 (0.59) SLC1A5PPARGPPARAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570352-B1 Novel hexapeptide UNIV WASHINGTON (US) 1996-09-04 EP disclosed
EP-0570352-A1 Novel hexapeptide WASHINGTON UNIVERSITY (US) 1993-11-18 EP disclosed
US-5225531-A Ligand binding specificity of the leukocyte response integrin expressed by human neutrophils WASHINGTON UNIVERSITY (US) 1993-07-06 US disclosed