SCHEMBL28668233

SCHEMBL28668233

CC(C)COC(=O)C(C(=O)OCc1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH1 P35367 1/20 0.42
SLC29A1 Q99808 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
FKBP1A P62942 1/20 0.41
CACNA1B Q00975 1/20 0.41
EPHX1 P07099 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28667809 0.89 ALDH1A1 (0.49) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28651220 0.88 POLB (0.46) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28656075 0.87 ALDH1A1 (0.48) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28650585 0.86 POLB (0.43) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28647855 0.86 CHRM2 (0.46) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28658739 0.84 CHRM2 (0.49) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28653722 0.81 ALDH1A1 (0.52) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL28665210 0.81 CHRM2 (0.50) POLBCHRM2CHRM1KCNH2HRH1
Ibuverine SCHEMBL2110821 0.80 POLB (0.65) POLBCHRM2CHRM1KCNH2HRH1
SCHEMBL24665790 0.78 ALDH1A1 (0.50) ALDH1A1SLC6A3MEN1KMT2ACTSK

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