SCHEMBL4564689

SCHEMBL4564689

Cc1cc(C(C)(C)C)c(O[C](Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)C(C)C)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA2 P00918 1/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
HSPA5 P11021 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8094382 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
Isopropyl Alcohol SCHEMBL22712571 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8407409 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
Methyl Alcohol SCHEMBL22712568 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11647740 0.72 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL22129151 0.72 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL6912228 0.72 VCAM1 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4659930 0.71 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4659932 0.71 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17171717 0.70 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CA2POLBTYR

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-2099832-A2 CATALYST ACTIVATORS, PROCESSES FOR MAKING SAME, AND USE THEREOF IN CATALYSTS AND POLYMERIZATION OF OLEFINS Albermarle Corporation (US) 2009-09-16 EP disclosed
WO-2008076632-A2 CATALYST ACTIVATORS, PROCESSES FOR MAKING SAME, AND USE THEREOF IN CATALYSTS AND POLYMERIZATION OF OLEFINS ALBEMARLE CORPORATION (US) 2008-06-26 WO disclosed