SCHEMBL16638151

SCHEMBL16638151

CCC(C)C(=O)C(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.35
TAS1R1 Q7RTX1 7/20 0.35
STS P08842 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9963754 0.87 TAS1R3 (0.36) TAS1R3TAS1R1STS
SCHEMBL9963746 0.86 TAS1R3 (0.34) TAS1R3TAS1R1STSKDM4EALDH1A1
SCHEMBL17409190 0.84 HTR7 (0.32) TAS1R3TAS1R1
SCHEMBL12039862 0.75 ALOX5 (0.30) KDM4E
SCHEMBL12399135 0.75 HTR7 (0.34) KDM4EALDH1A1HTT
SCHEMBL25699334 0.73 HDAC1 (0.33) TAS1R3TAS1R1
SCHEMBL2742216 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12040221 0.73 STS (0.38) STSALDH1A1
SCHEMBL10204976 0.71 CXCR2 (0.36) STS
SCHEMBL10204319 0.70 CA5A (0.34) STS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005870-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-04-14 US disclosed