SCHEMBL8429101

SCHEMBL8429101

N=C(N)c1cccc(-c2cccc(CCC(=O)O)c2NC=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
PTGER3 P43115 5/20 0.47
PTGER1 P34995 4/20 0.47
PTGER2 P43116 4/20 0.47
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
F10 P00742 8/20 0.39
PLG P00747 1/20 0.39
PROC P04070 1/20 0.39
FOLH1 Q04609 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
F2 P00734 2/20 0.38
HPGDS O60760 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
SCHEMBL8531077 0.89 PRSS1 (0.43) PTGER4PTGER3PTGER1PTGER2PRSS1
SCHEMBL8432519 0.85 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429218 0.83 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2PRSS1
SCHEMBL8430865 0.82 PTGER4 (0.47) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8534458 0.79 F10 (0.43) PRSS1PRSS2PRSS3F10F2
SCHEMBL8428906 0.74 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8429316 0.74 ITGB3 (0.39) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8530521 0.73 ENPP2 (0.47) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8432900 0.73 PTGER4 (0.40) PTGER4PTGER3PTGER1PTGER2ITGB3
SCHEMBL8531192 0.72 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 1 patent. 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