SCHEMBL8174692

SCHEMBL8174692

CCCC(O[C]=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
F10 P00742 5/20 0.42
PRSS1 P07477 8/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
F7 P08709 3/20 0.41
F3 P13726 2/20 0.41
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
TMPRSS15 P98073 1/20 0.37
PLAU P00749 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
TMPRSS2 O15393 1/20 0.36

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
SCHEMBL8169531 0.90 F2 (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL8559436 0.82 CA12 (0.32)
SCHEMBL8162689 0.82 HSD17B10 (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL9029684 0.80 PRSS1 (0.37) F2F10PRSS1PRSS2PRSS3
SCHEMBL9030206 0.80 PRMT1 (0.32) F10PRSS1PRSS2PRSS3F7
SCHEMBL9030472 0.78 PRSS1 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL9030495 0.78 F2 (0.53) F2F10PRSS1PLAU
SCHEMBL4672469 0.78 CA12 (0.36)
SCHEMBL9031211 0.76 F10 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL1432767 0.76 AOC3 (0.39)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed