SCHEMBL3360879

SCHEMBL3360879

CCCCOC([O])(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ATM Q13315 1/20 0.37
TSHR P16473 6/20 0.36
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32
CES2 O00748 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL7419364 0.92 CYP3A4 (0.37) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29018648 0.89 CA1 (0.43) CA1CA2TSHRHPGDCA9
SCHEMBL5697593 0.81 CA1 (0.33) ALDH1A1CA1CA2LMNA
SCHEMBL7022235 0.81 CYP3A4 (0.33) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8978426 0.80 CYP3A4 (0.40) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1357038 0.80
SCHEMBL7420586 0.79 CA1 (0.37) CA1CA2TSHRHPGDCA9
SCHEMBL7640731 0.78 CYP3A4 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7416108 0.78 CA1 (0.39) CA1CA2TSHRHPGDCA9
SCHEMBL7167906 0.76 CYP3A4 (0.37) CYP3A4ADRB2ADRB1ADRB3ALDH1A1

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
EP-2495261-B1 SUPPORTED NON-METALLOCENE CATALYST, MANUFACTURING METHOD AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2020-08-26 EP disclosed
EP-2202246-B1 NON-METALLOCENE CATALYST SUPPORTED ON MAGNESIUM COMPOUND AND ITS PREPARATION METHOD SINOPEC YANGZI PETROCHEMICAL (CN) 2016-06-15 EP disclosed
EP-2495261-A1 SUPPORTED NON-METALLOCENE CATALYST, MANUFACTURING METHOD AND APPLICATION THEREOF China Petroleum & Chemical Corporation (CN) 2012-09-05 EP disclosed
EP-2202246-A1 NON-METALLOCENE CATALYST SUPPORTED ON MAGNESIUM COMPOUND AND ITS PREPARATION METHOD Sinopec Yangzi Petrochemical Company Ltd. (CN) 2010-06-30 EP disclosed