SCHEMBL2946735

SCHEMBL2946735

COC(=O)C#CC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 4/20 0.31
CA14 Q9ULX7 4/20 0.31
ALDH1A1 P00352 1/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
LMNA P02545 2/20 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
SCHEMBL1087784 0.89 TSHR (0.50) TSHRHCAR2CA12CA14ALDH1A1
SCHEMBL25706 0.81 ALDH1A1 (0.44) TSHRSMN1; SMN2HCAR2ALDH1A1
SCHEMBL10579974 0.80 TSHR (0.42) TSHRHCAR2CA12CA14CA1
SCHEMBL1088514 0.77
SCHEMBL12128128 0.75
SCHEMBL16437025 0.73 TSHR (0.41) TSHRSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL2955397 0.72
SCHEMBL1088688 0.71 TSHR (0.39) TSHRHCAR2LMNA
SCHEMBL14337325 0.71 CA12 (0.38) TSHRCYP1A2CYP2C9CA12ALDH1A1
SCHEMBL11351014 0.70 ALDH1A1 (0.35) TSHRHCAR2ALDH1A1

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
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed