SCHEMBL9030472

SCHEMBL9030472

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
TMPRSS15 P98073 1/20 0.39
F2 P00734 6/20 0.39
F10 P00742 4/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
PLG P00747 1/20 0.36
C1S P09871 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PLAU P00749 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL8174692 0.78 F2 (0.42) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL9031211 0.75 F10 (0.48) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL9030715 0.74 PRSS1 (0.51) PRSS1PRSS2PRSS3F2F10
SCHEMBL9030918 0.74 F2 (0.43) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL7115360 0.72 PPARG (0.57) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL19486248 0.72 PPARG (0.57) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL19486255 0.72 PPARG (0.57) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL8169531 0.72 F2 (0.40) PRSS1PRSS2PRSS3F2F10
SCHEMBL9029684 0.70 PRSS1 (0.37) PRSS1PRSS2PRSS3TMPRSS15F2
SCHEMBL9030101 0.70 ALDH1A1 (0.49) PRSS1PRSS2PRSS3F2F10

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed