SCHEMBL9958314

SCHEMBL9958314

COc1ccc(OS(C)(=O)=O)cc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.47
TSHR P16473 2/20 0.46
BACE1 P56817 1/20 0.46
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
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL9958587 0.94 TSHR (0.54) TNFSF11TSHRBACE1TUBB4ATUBB
SCHEMBL9958039 0.89 TUBB4A (0.49) TSHRBACE1TUBB4ATUBBTUBA3C
SCHEMBL9957646 0.88 BACE1 (0.50) TNFSF11TSHRBACE1TUBB4ATUBB
SCHEMBL9957628 0.86 CA12 (0.42) ALDH1A1KDM4EGAACA12CA1
SCHEMBL9957685 0.85 CA12 (0.54) TSHRALDH1A1KDM4EGAACA12
SCHEMBL2463711 0.85 CA12 (0.59) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9957379 0.84 TUBB4A (0.48) TNFSF11TSHRBACE1TUBB4ATUBB
SCHEMBL3327344 0.83 CA12 (0.63) TNFSF11TSHRBACE1TUBB4ATUBB
SCHEMBL9509196 0.82 TNFSF11 (0.55) TNFSF11TSHRBACE1TUBB4ATUBB
SCHEMBL9957550 0.80 KMT2A (0.44) ALDH1A1KDM4EGAACA12CA1

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