SCHEMBL8430846

SCHEMBL8430846

CCOC(=O)CCc1ccc(-c2cccc(C(=N)N)c2)cc1NC=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PLG P00747 2/20 0.38
PROC P04070 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
F9 P00740 1/20 0.38

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
SCHEMBL8430895 0.86 DHODH (0.41) F10CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL8432423 0.84 DHODH (0.40) CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL8432620 0.80 F10 (0.38) F10F2PRSS1PLGPROC
SCHEMBL8534458 0.75 F10 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL8429101 0.68 PTGER4 (0.47) F10F2PRSS1PLGPROC
SCHEMBL7379154 0.68 PLAU (0.55) F10F2PRSS1CYP4F2CYP4A11
SCHEMBL7376449 0.68 F10 (0.52) F10F2PRSS1CYP4F2CYP4A11
SCHEMBL7380693 0.67 F10 (0.51) F10F2PRSS1
SCHEMBL7372797 0.67 ITGB3 (0.60) F10F2PRSS1PLG
SCHEMBL8567923 0.66 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1

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