SCHEMBL6453798

SCHEMBL6453798

CC(COc1cccc(F)c1)CC(CN)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.42
CACNB3 P54284 1/20 0.42
CACNA1C Q13936 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
USP2 O75604 1/20 0.38
NR4A2 P43354 1/20 0.38
MAOB P27338 1/20 0.38
ADAMTS4 O75173 1/20 0.37
CTSA P10619 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
SCHEMBL1913974 1.00 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3123777 1.00 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3124486 0.88 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913561 0.88 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6523909 0.88 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3125669 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6453190 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913748 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6386306 0.86 FFAR1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3124939 0.86 FFAR1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-1572188-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2004054566-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed