SCHEMBL6912657

SCHEMBL6912657

COc1c[c]c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA1 P00915 2/20 0.57
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 4/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATP2A2 P16615 1/20 0.37
ATP2A3 Q93084 1/20 0.37
HPN P05981 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
TYR P14679 2/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL16056542 0.75 CYP3A4 (0.48) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL2164186 0.74 CA12 (0.41) CA2CA1ALDH1A1CYP3A4HPGD
SCHEMBL1638474 0.74 CYP3A4 (0.37) CA2CA1ALDH1A1GAAALOX15
SCHEMBL227421 0.74 ALDH1A1 (0.41) CA2CA1ALDH1A1GAAALOX15
SCHEMBL2572419 0.74 SMN1; SMN2 (0.52) CA2CA1ALDH1A1GAAALOX15
SCHEMBL39130 0.73 CA2 (1.00) CA2CA1ALDH1A1GAAALOX15
SCHEMBL28565488 0.72 CYP3A4 (0.35) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL240515 0.68 CA2 (0.80) CA2CA1ALDH1A1GAAALOX15
SCHEMBL70237 0.68 CA2 (0.80) CA2CA1ALDH1A1GAAALOX15
SCHEMBL35535 0.68 ALDH1A1 (0.73) CA2CA1ALDH1A1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103920-A Olefin polymerization process E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-15 US claimed
EP-0835269-A1 OLEFIN POLYMERIZATION PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP claimed
US-5714556-A USING CATALYST SYSTEM COMPRISING PRODUCT OF ZEROVALENT NICKEL COORDINATION COMPOUND, ACID, SELECTED COMPOUND E. I. DUPONT DE NEMOURS AND COMPANY (US) 1998-02-03 US claimed
WO-1997002298-A1 OLEFIN POLYMERIZATION PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-23 WO claimed
EP-1475394-A2 Olefin polymerization process E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-11-10 EP disclosed