SCHEMBL6130863

SCHEMBL6130863

CCCC(F)OC(=O)NCc1cccc(C(CP(=O)(O)C(NS(=O)(=O)CC(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 9/20 0.37
▸ MME P08473 8/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ PRTN3 P24158 2/20 0.36
▸ ELANE P08246 2/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSD P07339 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
SCHEMBL2352396 0.85 ECE1 (0.42) ECE1MMEACE2ELANE
SCHEMBL2933823 0.84 PRTN3 (0.44) ECE1MMEPRTN3ELANE
SCHEMBL2939670 0.84 PPARG (0.34) —
SCHEMBL2354373 0.83 SYK (0.43) ECE1MMEACE2PRTN3ELANE
SCHEMBL4710021 0.77 PRTN3 (0.44) ITGB3ITGAVPRTN3ELANE
SCHEMBL2939235 0.77 PRTN3 (0.46) PRTN3ELANE
SCHEMBL2940407 0.75 PPARG (0.35) PRTN3
SCHEMBL2936801 0.72 S1PR1 (0.35) —
SCHEMBL2354094 0.72 ACE2 (0.42) ECE1MMEACE2
SCHEMBL2350988 0.71 ELANE (0.52) ECE1MMEACE2PRTN3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 — — EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 — — WO disclosed
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