SCHEMBL28077255

SCHEMBL28077255

CCC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
DGAT1 O75907 1/20 0.38
GAA P10253 1/20 0.36
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
HPGD P15428 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL28077274 0.98 DGAT1 (0.39) EPHX1DGAT1GAACHRM2CHRM4
SCHEMBL16732316 0.83 EPHX2 (0.40) EPHX1CHRM2CHRM4CHRM1CHRM3
SCHEMBL27808764 0.81 EPHX1 (0.36) EPHX1DGAT1GAACHRM2CHRM4
SCHEMBL16732101 0.81 EPHX2 (0.37) EPHX1DGAT1CHRM2CHRM4CHRM1
SCHEMBL16732287 0.80 ALDH1A1 (0.40) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL16732167 0.79 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL16732047 0.78 ALDH1A1 (0.38) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL16732051 0.77 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL16732320 0.77 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3CYP2C19
SCHEMBL16732151 0.77 CHRM2 (0.34) EPHX1CHRM2CHRM4CHRM1CHRM3

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-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed