SCHEMBL8531192

SCHEMBL8531192

N=C(N)Nc1cccc(-c2cccc(CCC(=O)O)c2NC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.48
PTGER3 P43115 5/20 0.48
PTGER1 P34995 4/20 0.48
PTGER2 P43116 4/20 0.48
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ENPP2 Q13822 1/20 0.41
FFAR1 O14842 7/20 0.39
FFAR4 Q5NUL3 4/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
MGLL Q99685 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL8432519 0.88 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL7373852 0.85 ITGB3 (0.50) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8531714 0.84 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8430865 0.83 PTGER4 (0.47) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429182 0.80 PTGER4 (0.44) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8428906 0.79 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8431241 0.79 PTGER4 (0.43) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429316 0.79 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432900 0.78 PTGER4 (0.40) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8530521 0.76 ENPP2 (0.47) PTGER4PTGER3PTGER1PTGER2ITGB3

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-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed