SCHEMBL11028656

SCHEMBL11028656

CS(=O)(=O)Oc1ccc2c(c1F)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
STS P08842 1/20 0.36
METAP2 P50579 1/20 0.34
SCN9A Q15858 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALPL P05186 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31

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
SCHEMBL9957342 0.81 NLRP3 (0.33) STSSCN9A
SCHEMBL23336944 0.80 DRD2 (0.38) CES1STSMETAP2
SCHEMBL19432994 0.78 HTR2A (0.41) CES1ALDH1A1KMT2A
SCHEMBL9958134 0.77 RXRA (0.43) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL16527058 0.76 HTR2A (0.40) CES1ALDH1A1KDM4EKMT2A
SCHEMBL9957908 0.75 PTGS2 (0.31) SCN9ACYP1A2ALPLTSHRHSD17B10
SCHEMBL9957639 0.73 NLRP3 (0.33) STS
SCHEMBL9958358 0.73 STS (0.46) STSSCN9ACYP1A2ALPLTSHR
SCHEMBL9958008 0.71 STS (0.39) STSSCN9ACA2CA5AKMT2A
SCHEMBL3748501 0.70 KDM4E (0.38) CES1STSSCN9ACYP1A2ALPL

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 2 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
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed