SCHEMBL28004337

SCHEMBL28004337

CCCCOC(=O)C(C(=O)OCC)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 2/20 0.44
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 2/20 0.38
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL28649690 0.94 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDL3MBTL1
SCHEMBL28557105 0.88 NAAA (0.50) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL28553149 0.86 NAAA (0.53) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL28549309 0.86 NAAA (0.53) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL28004331 0.85 ALDH1A1 (0.46) ALDH1A1TSHRCYP4F2CYP4A11MEN1
SCHEMBL7798176 0.85 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDL3MBTL1
SCHEMBL28003850 0.81 HCAR2 (0.39) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL27434075 0.78 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDCYP4F2
SCHEMBL14838181 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDL3MBTL1
SCHEMBL20877762 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed