SCHEMBL17002602

SCHEMBL17002602

C#CCOC(=O)CCCCCC(=O)OCCCC#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
DGKA P23743 1/20 0.41
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.35
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL10011747 0.98 GSTP1 (0.49) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10012635 0.95 GSTP1 (0.45) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10012103 0.94 GSTP1 (0.48) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10012167 0.93 GSTP1 (0.43) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10011544 0.92 GSTP1 (0.49) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10011522 0.92 GSTP1 (0.51) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10010144 0.92 GSTP1 (0.51) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10011918 0.90 GSTP1 (0.44) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10010746 0.90 GSTP1 (0.50) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10012337 0.90 GSTP1 (0.53) GSTP1L3MBTL1EPHX2DGKATSHR

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
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed