SCHEMBL5698146

SCHEMBL5698146

CCC(C)CC(CC(=O)O)NC(=O)C[AsH2]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.42
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
MME P08473 3/20 0.31
PLA2G2C Q5R387 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6421432 0.87 PLA2G10 (0.43) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4007883 0.83 PLA2G10 (0.42) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4007726 0.83 PLA2G10 (0.42) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4010272 0.82 PLA2G10 (0.41) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4203049 0.81 ALDH1A1 (0.40) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4010269 0.78 PLA2G10 (0.39) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4013614 0.77 CACNA2D1 (0.39) PLA2G10LMNAPOLBCACNA2D1CACNB3
SCHEMBL4008964 0.77 DPP4 (0.38) PLA2G10CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4010151 0.77 DPP4 (0.38) PLA2G10CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4008282 0.77 DPP4 (0.38) PLA2G10CACNA2D1CACNB3CACNA1CPGR

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-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed