SCHEMBL9508775

SCHEMBL9508775

Cc1ccc(S(=O)(=O)OC(C)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.41
GAA P10253 2/20 0.39
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 6/20 0.37
VDR P11473 1/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TLR9 Q9NR96 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9505412 0.85 TDP1 (0.35) ALDH1A1TSHRCA1CA2CA12
SCHEMBL579105 0.81 AGER (0.44) AGERGAAGBA1ALDH1A1VDR
SCHEMBL7637176 0.79 GAA (0.45) AGERGAAGBA1ALDH1A1VDR
SCHEMBL7635691 0.79 ACHE (0.42) AGERGAAALDH1A1VDRTSHR
SCHEMBL2342945 0.78 GAA (0.52) AGERGAAGBA1ALDH1A1VDR
SCHEMBL5557903 0.78 GAA (0.52) AGERGAAGBA1ALDH1A1VDR
SCHEMBL242207 0.77 AGER (0.47) AGERGAAGBA1ALDH1A1VDR
SCHEMBL143705 0.76 GAA (0.50) AGERGAAGBA1ALDH1A1VDR
SCHEMBL890642 0.76 GAA (0.50) AGERGAAGBA1ALDH1A1VDR
SCHEMBL29224493 0.75 AGER (0.46) AGERGAAGBA1ALDH1A1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337820-B1 PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS NIKKO KYODO CO., LTD. (JP) 1993-07-28 EP disclosed
US-5041641-A Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids NIPPON MINING COMPANY LIMITED (JP) 1991-08-20 US disclosed
EP-0337820-A1 Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids NIKKO KYODO CO., LTD. (JP) 1989-10-18 EP disclosed