SCHEMBL6454407

SCHEMBL6454407

COc1cccc(OCCC(C)CC(CN)CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41

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
SCHEMBL1913757 1.00 LMNA (0.49) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3117858 1.00 LMNA (0.49) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL6453190 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL1913748 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3125669 0.88 LMNA (0.51) LMNAMAPK1ALDH1A1TSHRTDP1
SCHEMBL3114126 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL1913741 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL7174635 0.88 CACNA2D1 (0.45) MAPK1MTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL3114806 0.88 CACNA2D1 (0.47) MAPK1TDP1MTNR1AMTNR1BPPARG
SCHEMBL1913698 0.88 CACNA2D1 (0.47) MAPK1TDP1MTNR1AMTNR1BPPARG

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 4 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
WO-2004054566-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed