SCHEMBL8428906

SCHEMBL8428906

N=C(N)Nc1cccc(-c2ccc(CCC(=O)O)c(NC=O)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
FFAR1 O14842 6/20 0.35
FFAR4 Q5NUL3 3/20 0.35
ITGAV P06756 2/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
ENPP2 Q13822 1/20 0.33
F7 P08709 1/20 0.33

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 0.89 PTGER4 (0.45) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8429316 0.88 ITGB3 (0.39) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8432900 0.87 PTGER4 (0.40) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8432817 0.86 CYP17A1 (0.33) SELLSELPSELE
SCHEMBL8432812 0.85 ITGB3 (0.39) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8432805 0.85 ITGB3 (0.37) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8430865 0.80 PTGER4 (0.47) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8531192 0.79 PTGER4 (0.48) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8530521 0.78 ENPP2 (0.47) ITGB3ITGA2BPTGER1PTGER4PTGER3
SCHEMBL8429182 0.77 PTGER4 (0.44) ITGB3ITGA2BPTGER1PTGER4PTGER3

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