SCHEMBL8440201

SCHEMBL8440201

CCCCCCCCCCCCC(CCC)S(=O)(=O)NCCc1cc(F)c(SCC(=O)O)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
STS P08842 2/20 0.30
S1PR2 O95136 2/20 0.30
S1PR1 P21453 2/20 0.30
GRIA4 P48058 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MMP3 P08254 2/20 0.30
MAPK10 P53779 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
SCHEMBL7920744 0.73 ALDH1A1 (0.48) MMP1MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL8437945 0.70 TBXAS1 (0.39)
SCHEMBL7923998 0.68 ALDH1A1 (0.45) MMP1MMP2MMP9CYSLTR2CYSLTR1
SCHEMBL8439860 0.63 MCL1 (0.44)
SCHEMBL24576357 0.61 RELA (0.43)
SCHEMBL9186145 0.60 TP53 (0.38)
SCHEMBL27934356 0.60 HDAC8 (0.44) MMP1
SCHEMBL21117431 0.59 ALDH1A1 (0.40)
SCHEMBL9186141 0.59 TP53 (0.41)
SCHEMBL11603393 0.59 FFAR4 (0.60)

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed