SCHEMBL28366185

SCHEMBL28366185

CCN(CC)CC.O=S(=O)(O)CCCOS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 10/20 0.32
CA2 P00918 10/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CA9 Q16790 8/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 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
SCHEMBL1889651 0.85 APP (0.46) APPFNTAFNTBCA1CA2
SCHEMBL26110743 0.84 CA1 (0.48) FNTAFNTBNPSR1CA1CA2
Amylosulfuric Acid SCHEMBL21195037 0.82 CA1 (0.50) FNTAFNTBCA1CA2KDM4E
Eprodisate SCHEMBL23795566 0.81 APP (0.46) APPNPSR1ALDH1A1LMNAALOX15
SCHEMBL98149 0.81 CA1 (0.52) FNTAFNTBCA1CA2TSHR
Octadecyl Sulfate SCHEMBL8346573 0.81 CA1 (0.52) FNTAFNTBCA1CA2TSHR
SCHEMBL1573493 0.80 NPSR1 (0.46) FNTAFNTBNPSR1CA1CA2
Tetradecane SCHEMBL29145017 0.78 CA1 (0.48) FNTAFNTBCA1CA2TSHR
SCHEMBL5375369 0.77 APP (0.42) APPNPSR1CA1CA2ALDH1A1
SCHEMBL10786203 0.77 FNTA (0.46) APPFNTAFNTBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372645-A Regeneration granulation method for EVA (ethylene-vinyl acetate) foamed plastic 上高远大化纤有限公司 2021-09-10 CN disclosed
CN-110713439-A Preparation method of cyclohexane-1, 2-dicarboxylate environment-friendly plasticizer 濮阳市盛源能源科技股份有限公司 2020-01-21 CN disclosed