SCHEMBL8006016

SCHEMBL8006016

COc1ccc(P(c2cc(C)cc(C(C)(C)C)c2O)c2cc(C)cc(C(C)(C)C)c2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
HSPA5 P11021 1/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
HIF1A Q16665 2/20 0.40
ALOX5 P09917 2/20 0.38
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ACHE P22303 1/20 0.35
PTGS1 P23219 2/20 0.35

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
SCHEMBL5596108 0.82 CA2 (0.53) CA2CA1SMN1; SMN2ALDH1A1POLB
Butylated Hydroxytoluene SCHEMBL17139813 0.79 CA2 (0.62) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL24503616 0.76 ALDH1A1 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
Butylated Hydroxytoluene SCHEMBL8847112 0.73 CA2 (0.62) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL4894155 0.70 LMNA (0.60) SMN1; SMN2ALDH1A1POLBHSD17B10GAA
SCHEMBL5596222 0.70 SMN1; SMN2 (0.63) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL9243177 0.70 ALDH1A1 (0.56) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL16996689 0.69 CA2 (0.67) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL6816518 0.69 CA4 (0.39) CA2CA1ALDH1A1GAAACHE
SCHEMBL8849761 0.68 CA2 (0.66) CA2CA1SMN1; SMN2ALDH1A1POLB

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-6034190-A COORDINATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-07 US disclosed
EP-0761694-B1 Olefin polymerization catalyst component, olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL CO (JP) 1999-12-01 EP disclosed
US-5840646-A Olefin polymerization catalyst component SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-24 US disclosed
EP-0761694-A1 Olefin polymerization catalyst component, olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-12 EP disclosed