SCHEMBL28667809

SCHEMBL28667809

O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
EPHX1 P07099 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ENPP2 Q13822 1/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC29A1 Q99808 1/20 0.46
FKBP1A P62942 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL28656075 0.94 ALDH1A1 (0.48) ALDH1A1EPHX1KMT2AMEN1POLB
SCHEMBL28647855 0.93 CHRM2 (0.46) ALDH1A1EPHX1POLBCHRM2CHRM1
SCHEMBL28658739 0.91 CHRM2 (0.49) ALDH1A1KMT2AMEN1POLBCHRM2
SCHEMBL28668233 0.89 POLB (0.42) ALDH1A1EPHX1KMT2AMEN1POLB
SCHEMBL28653722 0.88 ALDH1A1 (0.52) ALDH1A1POLBCHRM2CHRM1HRH1
SCHEMBL28665210 0.87 CHRM2 (0.50) ALDH1A1POLBCHRM2CHRM1HRH1
SCHEMBL28651220 0.87 POLB (0.46) ALDH1A1KMT2AMEN1POLBCHRM2
SCHEMBL5981838 0.84 ENPP2 (0.46) ALDH1A1EPHX1KMT2AMEN1ENPP2
SCHEMBL3791323 0.82 ALDH1A1 (0.45) ALDH1A1EPHX1KMT2AMEN1ENPP2
SCHEMBL22962924 0.82 ALDH1A1 (0.48) ALDH1A1EPHX1KMT2AMEN1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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