SCHEMBL28123741

SCHEMBL28123741

CCCCC(CCCC)(C(=O)OCC)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.46
MMP8 P22894 1/20 0.46
CETP P11597 3/20 0.44
PIN1 Q13526 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPRC P08575 1/20 0.44
MBOAT4 Q96T53 1/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL28147418 0.95 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL27487923 0.94 ALDH1A1 (0.48) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28667905 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28653958 0.91 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28549322 0.90 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28653746 0.90 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28123736 0.90 PTPN1 (0.53) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL28004338 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL7537786 0.90 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL7541915 0.90 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104558293-B Catalyst component for olefin polymerization and catalyst 中国石油化工股份有限公司 2017-02-15 CN claimed
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-106608939-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-08-20 CN disclosed
CN-106608940-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-06-28 CN disclosed
CN-104558292-B One kind is used for olefin polymerization catalysis preparation method 中国石油化工股份有限公司 2017-05-31 CN disclosed