SCHEMBL6914941

SCHEMBL6914941

CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cc(Cl)ccc1-c1cnsn1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VHL P40337 14/20 0.38
ELOC Q15369 12/20 0.38
ELOB Q15370 12/20 0.38
ELANE P08246 2/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 3/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL6918709 0.86 F2 (0.41) F2F10F12PRSS1PRSS2
SCHEMBL6914935 0.82 GPBAR1 (0.34)
SCHEMBL6919609 0.79 CFD (0.40)
SCHEMBL6078132 0.78 F2 (0.51) ALDH1A1F2F10F12PRSS1
SCHEMBL6918706 0.72 GPBAR1 (0.36) F2F10F12PRSS1PRSS2
SCHEMBL23810801 0.71 VHL (0.57) VHLELOCELOB
SCHEMBL23810800 0.71 VHL (0.57) VHLELOCELOB
SCHEMBL30772103 0.71 VHL (0.51) VHLELOCELOB
Hydrochloric Acid SCHEMBL6919611 0.71 MASP2 (0.36) F2
SCHEMBL24514607 0.70 VHL (0.51) VHLELOCELOB

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
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed