SCHEMBL9957050

SCHEMBL9957050

COc1c(C)cccc1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALPL P05186 1/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.36
ESR2 Q92731 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL14500654 0.89 TSHR (0.46) HSD17B10CYP1A2ALPLTSHRPTPN1
SCHEMBL9958678 0.88 CYP1A2 (0.41) HSD17B10CYP1A2ALPLTSHRCA12
SCHEMBL9958216 0.85 CA12 (0.44) HSD17B10CYP1A2ALPLTSHRCA12
SCHEMBL9958029 0.81 SMN1; SMN2 (0.44) HSD17B10CYP1A2ALPLTSHRCA12
SCHEMBL27752732 0.80 NFE2L2 (0.45) HSD17B10CA12CA1CA2CA14
SCHEMBL11028834 0.80 KMT2A (0.42) PTPN1KMT2AGAACA12CA1
SCHEMBL64791 0.80 CYP1A2 (0.44) HSD17B10CYP1A2ALPLTSHRKMT2A
SCHEMBL6940134 0.80 KEAP1 (0.41) HSD17B10CYP1A2ALPLTSHRFFAR4
SCHEMBL29497718 0.79 MAPT (0.48) HSD17B10CYP1A2ALPLTSHRKMT2A
SCHEMBL6938262 0.79 MAPT (0.48) HSD17B10CYP1A2ALPLTSHRKMT2A

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