SCHEMBL8112972

SCHEMBL8112972

COc1cc(OCCCC(=O)O)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.65
F2 P00734 14/20 0.65
PRSS1 P07477 12/20 0.65
F10 P00742 12/20 0.65
F3 P13726 5/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
MRGPRX1 Q96LB2 2/20 0.45
MAPT P10636 1/20 0.42
PROC P04070 1/20 0.41

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
SCHEMBL7142640 0.91 F2 (0.67) F7F2PRSS1F10F3
SCHEMBL8122404 0.91 F2 (0.54) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8127918 0.90 F2 (0.70) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7150362 0.90 F2 (0.70) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8127926 0.90 F2 (0.70) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8122386 0.90 F2 (0.65) F7F2PRSS1F10F3
SCHEMBL7147573 0.87 F2 (0.74) F7F2PRSS1F10F3
SCHEMBL7149559 0.87 F7 (0.64) F7F2PRSS1F10F3
SCHEMBL7140393 0.87 F2 (0.59) F7F2PRSS1F10F3
SCHEMBL7148547 0.87 F2 (0.59) F7F2PRSS1F10F3

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-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed