SCHEMBL8429208

SCHEMBL8429208

CNc1c(CCC(=O)O)cccc1C(=O)c1cccc(NC=NN)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
ITGAV P06756 5/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
LTB4R Q15722 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGB5 P18084 2/20 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
SCHEMBL8432521 0.87 ABCB11 (0.41) SIRT1ITGB3ITGA2BITGAVFOS
SCHEMBL8429187 0.81 ITGB3 (0.37) ITGB3ITGA2BITGAVFOSJUN
SCHEMBL8431244 0.81 ITGB3 (0.37) ITGB3ITGA2BITGAVFOSJUN
SCHEMBL8428908 0.80 ITGB3 (0.38) SIRT1ITGB3ITGA2BITGAVFOS
SCHEMBL8429321 0.80 ITGB3 (0.38) SIRT1ITGB3ITGA2BITGAVFOS
SCHEMBL8432903 0.79 ITGB3 (0.39) SIRT1ITGB3ITGA2BITGAVFOS
SCHEMBL8432815 0.79 ITGB3 (0.40) ITGB3ITGA2BITGAVFOSJUN
SCHEMBL7380550 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL8530525 0.78 ABCB11 (0.54) CA1CA2
SCHEMBL7373860 0.77 PTGER1 (0.44) ITGB3ITGA2BITGAVPTGER1PTGER4

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