SCHEMBL28004284

SCHEMBL28004284

C=CCOC(=O)C(CC)(CCCC)C(=O)OCC=C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
FAAH O00519 1/20 0.31
CACNA1B Q00975 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
SCHEMBL28004305 0.95 TSHR (0.45) TSHRHPGDALDH1A1LMNACYP1A2
SCHEMBL28248740 0.95 TSHR (0.45) TSHRHPGDALDH1A1LMNACYP1A2
SCHEMBL28123171 0.93 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL28123790 0.90 TSHR (0.46) TSHRHPGDALDH1A1LMNANPSR1
SCHEMBL28554033 0.88 TSHR (0.54) TSHRHPGDCYP3A4ATML3MBTL1
SCHEMBL28562830 0.87 TSHR (0.46) TSHRHPGDALDH1A1NPSR1CYP3A4
SCHEMBL28565898 0.87 TSHR (0.47) TSHRHPGDALDH1A1LMNACYP1A2
SCHEMBL28556864 0.85 TSHR (0.49) TSHRHPGDLMNAATML3MBTL1
SCHEMBL284263 0.85 TSHR (0.44) TSHRHPGDALDH1A1LMNACYP1A2
SCHEMBL28649619 0.85 TSHR (0.49) TSHRHPGDALDH1A1LMNACYP1A2

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