SCHEMBL28097624

SCHEMBL28097624

CCC(OC)C(OC)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.46
KDM4E B2RXH2 1/20 0.32
EPHX1 P07099 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL28090709 0.82 SHBG (0.35) SHBGEPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL9125916 0.80 SHBG (0.35) SHBG
SCHEMBL21028049 0.79 SHBG (0.46) SHBGKDM4EEPHX1ALDH1A1CYP3A4
SCHEMBL16849192 0.73 SHBG (0.37) SHBGEPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL21938074 0.71 SHBG (0.52) SHBGKDM4EEPHX1ALDH1A1TP53
SCHEMBL25235873 0.71 SHBG (0.37) SHBGEPHX1ALDH1A1CYP3A4CYP2C19
SCHEMBL19663289 0.71 SHBG (0.37) SHBGKDM4E
SCHEMBL9135907 0.70 TP53 (0.37) SHBGKDM4EEPHX1ALDH1A1CYP3A4
SCHEMBL27669781 0.69 ALDH1A1 (0.38) SHBGKDM4EEPHX1ALDH1A1CYP3A4
SCHEMBL1069873 0.68 SHBG (0.35) SHBGALDH1A1CYP3A4CYP2C19

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-103987736-B Catalyst system and the method producing ultra-high molecular weight polyethylene in the presence of this catalyst system 沙特基础工业公司 2016-09-14 CN claimed