SCHEMBL7067384

SCHEMBL7067384

CCCCOCC(Cl)(CCC)COCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL7065655 0.82
SCHEMBL8571684 0.78 CES1 (0.47) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL7069777 0.78
SCHEMBL7065880 0.75
Carbon Tetrachloride SCHEMBL28852525 0.75 TSHR (0.57) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL27826133 0.74 TSHR (0.41) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL15863093 0.73 TSHR (0.39) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL29300111 0.73 CES1 (0.47) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL278799 0.72 TSHR (0.48) TSHRCYP3A4CES1SMN1; SMN2HPGD
SCHEMBL25588711 0.71 TSHR (0.42) TSHRCYP3A4CES1SMN1; SMN2HPGD

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 7 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
CN-1019580-B Components and catalysts for the polymerization of olefins HIMONT INC (US) 1992-12-23 CN disclosed
US-5068213-A COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS HINMONT INCORPORATED (US) 1991-11-26 US disclosed
CN-1055933-A Components and catalysts for the polymerization of olefins HIMONT INC (US) 1991-11-06 CN disclosed
EP-0451645-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1991-10-16 EP disclosed