SCHEMBL15438175

SCHEMBL15438175

C#CCCCP(=O)(CCCC#C)CC(=O)OCC#C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL15438134 0.95 GSTP1 (0.39) GSTP1NPC1L3MBTL1MAPTCYP1A2
SCHEMBL15438503 0.89 GSTP1 (0.38) GSTP1NPC1L3MBTL1MAPTTSHR
SCHEMBL15439125 0.85 L3MBTL1 (0.44) GSTP1NPC1L3MBTL1MAPTCYP1A2
SCHEMBL15438327 0.84 L3MBTL1 (0.40) GSTP1NPC1L3MBTL1CYP1A2CYP2D6
SCHEMBL15438536 0.81 GSTP1 (0.36) GSTP1NPC1L3MBTL1ALDH1A1
SCHEMBL15438158 0.80 GSTP1 (0.35) GSTP1NPC1L3MBTL1MAPTALDH1A1
SCHEMBL15438843 0.78 GSTP1 (0.37) GSTP1NPC1L3MBTL1TSHRPOLB
SCHEMBL15438489 0.77 GSTP1 (0.35) GSTP1NPC1L3MBTL1MAPTCYP1A2
SCHEMBL15438293 0.77 GSTP1 (0.35) GSTP1NPC1TSHRALDH1A1TAAR1
SCHEMBL15439128 0.77 L3MBTL1 (0.39) GSTP1NPC1L3MBTL1CYP1A2CYP2D6

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
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed