SCHEMBL9348782

SCHEMBL9348782

Cc1cc(C(C)(C)C)c(CCl)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CYP2C9 P11712 4/20 0.46
HIF1A Q16665 4/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CYP2D6 P10635 2/20 0.41
PTGS2 P35354 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 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
SCHEMBL9352680 0.87 CYP2C19 (0.51) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL1720100 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL29824041 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL30913182 0.84 CYP2C19 (0.50) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL9352663 0.84 CYP2C19 (0.44) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL29282116 0.84 CYP2C19 (0.50) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL11661523 0.79 ALDH1A1 (0.46) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL29126099 0.78 CA1 (0.39) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL9349122 0.76 CYP2C19 (0.45) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53
SCHEMBL11341071 0.76 CYP2C19 (0.56) CYP2C19SMN1; SMN2CYP2C9HIF1ATP53

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
US-5324761-A Monocarboxylic acid esters and olefin polymer composition stabilized therewith HIMONT INCORPORATED (US) 1994-06-28 US disclosed
US-5241100-A MONOCARBOXYLIC ACID ESTERS AND OLEFIN POLYMER COMPOSITION STABILIZED THEREWITH HIMONT INCORPORATED (US) 1993-08-31 US disclosed
CN-1059738-A Monocarboxylate and form with the in addition stable olefin polymer of this ester HIMONT INC (US) 1992-03-25 CN disclosed
EP-0475105-A1 Monocarboxylic acid esters and olefin polymer composition stabilized therewith Himont Incorporated (US) 1992-03-18 EP disclosed