SCHEMBL2457445

SCHEMBL2457445

Cc1c(O)c(CN)c(C(C)(C)C)c(C)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
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
SCHEMBL185064 0.78 LMNA (0.32) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8106600 0.77 CA2 (0.36) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL3957081 0.75 LMNA (0.31) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL11679874 0.73
SCHEMBL784952 0.69 CA2 (0.38) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL15504703 0.67 ALDH1A1 (0.33) CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21410949 0.67 GABRA1 (0.33) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL2741239 0.66 CA2 (0.36) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL11678372 0.66 HTR1D (0.35) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9068216 0.64 CA2 (0.35) CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547753-A1 LUBRICATING COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2013-01-23 EP disclosed
WO-2011113851-A1 LUBRICATING COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-09-22 WO disclosed
EP-1896556-A1 OXIDATIVE STABLE OIL FORMULATION Shell Internationale Research Maatschappij B.V. (NL) 2008-03-12 EP disclosed
WO-2006136591-A1 OXIDATIVE STABLE OIL FORMULATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-12-28 WO disclosed
CN-1082066-C Synergistic stabilizer mixture CIBA SC HOLDING AG (CH) 2002-04-03 CN disclosed
CN-1079809-C Synergistic stabilizer mixture CIBA SC HOLDING AG (CH) 2002-02-27 CN disclosed
CN-1137541-A Synergistic stabilizer mixture CIBA GEIGY AG (CH) 1996-12-11 CN disclosed
CN-1136048-A Synergistic stabilizer mixture CIBA GEIGY AG (CH) 1996-11-20 CN disclosed