SCHEMBL9957646

SCHEMBL9957646

COc1ccc(OS(C)(=O)=O)c(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9958314 0.88 TNFSF11 (0.47) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9957379 0.88 TUBB4A (0.48) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9958068 0.87 CA1 (0.56) MAPTKMT2AMEN1CA12CA1
SCHEMBL9958016 0.86 ALDH1A1 (0.44) KDM4EMAPTHTTKMT2AMEN1
SCHEMBL9958039 0.86 TUBB4A (0.49) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11793587 0.85 BACE1 (0.61) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9958587 0.84 TSHR (0.54) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2461498 0.83 CA12 (0.63) MAPTKMT2AMEN1TSHRCA12
SCHEMBL3327344 0.83 CA12 (0.63) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6935981 0.81 CA12 (0.65) MAPTKMT2AMEN1TSHRCA12

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-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed