SCHEMBL8429182

SCHEMBL8429182

N=C(N)Nc1cccc(-c2cccc(CCC(=O)O)c2CNC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.44
PTGER3 P43115 5/20 0.44
PTGER1 P34995 4/20 0.44
PTGER2 P43116 4/20 0.44
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FFAR1 O14842 10/20 0.38
FFAR4 Q5NUL3 5/20 0.38
ENPP2 Q13822 1/20 0.38
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8535168 0.92 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8431241 0.91 PTGER4 (0.43) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8535417 0.90 PTGER4 (0.44) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8532444 0.90 ENPP2 (0.46) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL8531714 0.88 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429218 0.85 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432519 0.83 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8532339 0.82 ENPP2 (0.44) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429316 0.81 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8531192 0.80 PTGER4 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed