SCHEMBL6429686

SCHEMBL6429686

CC(C)(CCC[S+]([O-])CCCC(C)(CO)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.31

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
SCHEMBL6430080 0.96 CYP2C19 (0.36) CYP2C19HIF1ATAAR1LMNA
SCHEMBL5526988 0.94 CYP2C19 (0.41) CYP2C19HIF1ATAAR1LMNA
SCHEMBL5518734 0.89 CYP2C19 (0.40) CYP2C19HIF1ATAAR1LMNA
SCHEMBL6505272 0.88 CYP2C19 (0.39) CYP2C19HIF1ATAAR1LMNA
SCHEMBL6693262 0.83 CYP2C19 (0.40) CYP2C19HIF1A
SCHEMBL6506245 0.83 CYP2C19 (0.40) CYP2C19HIF1ATAAR1LMNA
SCHEMBL6708666 0.83 CYP2C19 (0.40) CYP2C19HIF1ATAAR1LMNA
SCHEMBL6531583 0.81 RIPK1 (0.33) CYP2C19HIF1ATAAR1
SCHEMBL6698317 0.80 CYP2C19 (0.39) CYP2C19HIF1A
SCHEMBL10264390 0.79 CYP2C19 (0.39) CYP2C19HIF1ATAAR1LMNA

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-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed