SCHEMBL14778341

SCHEMBL14778341

CCCCC(OS(=O)(=O)c1ccccc1)C(C)OS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
ACE P12821 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
PSIP1 O75475 1/20 0.39
POLB P06746 1/20 0.36
ABCB1 P08183 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR5 P51681 1/20 0.34

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
SCHEMBL14780382 0.95 SMN1; SMN2 (0.42) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL14779119 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL14778474 0.90 SMN1; SMN2 (0.49) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL14780206 0.86 CA12 (0.44) SMN1; SMN2MMP13TDP1ALDH1A1TSHR
SCHEMBL16044389 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL14779692 0.85 PSIP1 (0.45) SMN1; SMN2TDP1ALDH1A1PSIP1ABCB1
SCHEMBL14779524 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL2057750 0.84 MMP1 (0.39) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL11305845 0.83 TDP1 (0.46) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL16048826 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MMP1MMP7MMP12MMP13

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-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed