SCHEMBL4556874

SCHEMBL4556874

CC(C)[C@H](NC1(c2ccccc2Oc2ccccc2)CCCCO1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.41
FFAR4 Q5NUL3 1/20 0.37
CASP3 P42574 4/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL4555306 0.86 CASP1 (0.43) CASP1CASP3
SCHEMBL1896555 0.85 CASP1 (0.39) CASP1CASP3
SCHEMBL4555732 0.84 CASP1 (0.46) CASP1CASP3
SCHEMBL5669625 0.84 CASP1 (0.39) CASP1CASP3
SCHEMBL1897510 0.84 CASP1 (0.41) CASP1CASP3
SCHEMBL1896165 0.84 CASP1 (0.38) CASP1CASP3
SCHEMBL4564304 0.83 CASP1 (0.38) CASP1CASP3
SCHEMBL4556881 0.82 CASP1 (0.38) CASP1CASP3
SCHEMBL4556734 0.82 CASP1 (0.40) CASP1CASP3
SCHEMBL4556932 0.81 CASP1 (0.36) CASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090101512-A1 Method for forming multilayer coating film and coated article KANSAI PAINT CO., LTD. (JP) 2009-04-23 US claimed
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 EP claimed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US claimed
US-9115440-B2 Method for forming multilayer coating film and coated article KANSAI PAINT CO., LTD. (JP) 2015-08-25 US disclosed
US-20090101512-A1 Method for forming multilayer coating film and coated article KANSAI PAINT CO., LTD. (JP) 2009-04-23 US disclosed