SCHEMBL28010659

SCHEMBL28010659

CCCOC1(O)CCCCC1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.33
SLC6A3 Q01959 9/20 0.33
SLC6A2 P23975 2/20 0.33
OPRM1 P35372 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL21069258 0.77
SCHEMBL9152767 0.76 SLC6A3 (0.38) SLC6A4SLC6A3
SCHEMBL911582 0.73 SLC6A3 (0.33) SLC6A4SLC6A3
SCHEMBL5831504 0.72
SCHEMBL8837037 0.69 TSHR (0.33) SLC6A4SLC6A2OPRM1
SCHEMBL6843844 0.69
SCHEMBL8228772 0.68 SLC6A4 (0.34) SLC6A4SLC6A2OPRM1
SCHEMBL28306447 0.67 SMN1; SMN2 (0.33)
SCHEMBL2580713 0.67 CA1 (0.33) SLC6A4SLC6A3CA1CA2CA4
SCHEMBL12312031 0.67 CA1 (0.33) SLC6A4SLC6A3CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105523894-B A kind of method of cyclohexene oxide 中国石油化工股份有限公司 2018-06-12 CN disclosed
CN-105523894-A Cyclohexene oxidation method CHINA PETROLEUM & CHEM CORP 2016-04-27 CN disclosed
CN-102850205-B Method for producing 1,2-cyclohexanediol and adipic acid CHINA PETROLEUM & CHEMICAL 2015-03-18 CN disclosed