SCHEMBL28564490

SCHEMBL28564490

C=CCC(CC(C)C)(C(=O)OC1CCCCC1)C(=O)OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
CYP19A1 P11511 2/20 0.36
NAAA Q02083 2/20 0.34
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL820423 0.86 EPHX1 (0.40) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28558892 0.86 EPHX1 (0.35) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28564479 0.81 NAAA (0.41) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28558883 0.77 CYP19A1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28167343 0.76 NAAA (0.39) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL9913254 0.76 CYP19A1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL13448097 0.76 CYP19A1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL22062029 0.75 CYP19A1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL28554030 0.75 MAPT (0.36) CYP2C19ALDH1A1
SCHEMBL28570731 0.73 CYP19A1 (0.41) CYP19A1CYP2C19

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
CN-109678996-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109678998-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109679006-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-109679004-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed