SCHEMBL7063983

SCHEMBL7063983

CCCC(CCC)=C(COC)COC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL7068610 0.75
Ammonia Solution, Strong SCHEMBL4626476 0.73 CES2 (0.44) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL28208570 0.73 ALDH1A1 (0.35) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL25820249 0.69
SCHEMBL5047501 0.69
SCHEMBL12653916 0.67
SCHEMBL12124916 0.67
Butyric Acid SCHEMBL28118303 0.65 FFAR3 (0.65) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Alcohol SCHEMBL28241943 0.65 ALDH1A1 (0.40) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL27441199 0.65 ALDH1A1 (0.40) ALDH1A1CES2CES1FFAR3HDAC3

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
EP-0891988-B1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-06-04 EP disclosed
EP-0451645-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-05-12 EP disclosed
EP-0891988-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1999-01-20 EP disclosed
US-5068213-A COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS HINMONT INCORPORATED (US) 1991-11-26 US disclosed
EP-0451645-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1991-10-16 EP disclosed