SCHEMBL9958587

SCHEMBL9958587

COc1cc(OS(C)(=O)=O)ccc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NR3C1 P04150 1/20 0.50
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
PTGS1 P23219 1/20 0.48
TNFSF11 O14788 1/20 0.47
BACE1 P56817 1/20 0.46
VCP P55072 1/20 0.45
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

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 0.94 TNFSF11 (0.47) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL9957379 0.88 TUBB4A (0.48) TSHRNR3C1TNFSF11BACE1TUBB4A
SCHEMBL9957550 0.86 KMT2A (0.44) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL9958039 0.86 TUBB4A (0.49) TSHRBACE1TUBB4ATUBBTUBA3C
SCHEMBL2463711 0.85 CA12 (0.59) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9957646 0.84 BACE1 (0.50) TSHRTNFSF11BACE1TUBB4ATUBB
SCHEMBL3328971 0.83 TSHR (0.64) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL2729632 0.83 TSHR (0.64) TSHRNR3C1JUNNFKB1PTGS1
SCHEMBL9956982 0.83 CA12 (0.52) TSHRALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9957685 0.81 CA12 (0.54) TSHRALDH1A1KDM4EGAASMN1; SMN2

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 6 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
CN-102484280-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2014-05-07 CN 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
CN-102484280-A Nonaqueous Electrolyte Solution And Electrochemical Element Using Same UBE INDUSTRIES 2012-05-30 CN disclosed