SCHEMBL15438240

SCHEMBL15438240

C#CCOC(=O)CP(=O)(Oc1ccc(C)cc1)Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.35
GSTP1 P09211 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL15438297 0.87 NPC1 (0.38) TSHRNPC1CYP1A2LMNAGSTP1
SCHEMBL15438815 0.85 NPC1 (0.46) TSHRNPC1GSTP1L3MBTL1
SCHEMBL15439132 0.79 GAA (0.54) TSHRNPC1CYP1A2CYP2D6LMNA
SCHEMBL15438749 0.78 ELANE (0.43) TSHRCYP3A4NPC1LMNAMEN1
SCHEMBL15438659 0.78 CYP3A4 (0.40) TSHRCYP3A4LMNAMEN1MAPT
SCHEMBL15475043 0.75 GAA (0.55) TSHRCYP3A4NPC1LMNAMEN1
SCHEMBL17264966 0.73 LMNA (0.50) TSHRNPC1CYP1A2CYP2D6LMNA
SCHEMBL15438912 0.73 TSHR (0.37) TSHRNPC1CYP1A2CYP2D6LMNA
SCHEMBL28434957 0.72 KMT2A (0.46) TSHRCYP3A4NPC1CYP1A2MEN1
SCHEMBL15439449 0.71 ALDH1A1 (0.47) TSHRNPC1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
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