SCHEMBL16495014

SCHEMBL16495014

O=Cc1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HTR6 P50406 2/20 0.38
KAT6A Q92794 1/20 0.38

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
SCHEMBL6956211 0.78 POLB (0.39) HSD11B1ALDH1A1KDM4EMAPTTSHR
SCHEMBL30487705 0.78 ALOX5AP (0.41) ALDH1A1LMNAMAPTCNR2TSHR
SCHEMBL4556987 0.78 ALOX5AP (0.41) ALDH1A1LMNAMAPTCNR2TSHR
SCHEMBL27858879 0.76 ABCC9 (0.54) HSD11B1ALDH1A1HTTKDM4ELMNA
SCHEMBL1465612 0.76 KIF18A (0.51) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL4616939 0.75 HTR6 (0.56) HSD11B1ALDH1A1HTTKDM4ELMNA
SCHEMBL507253 0.75 PTGDR2 (0.49) HSD11B1ALDH1A1HTTKDM4ELMNA
SCHEMBL709683 0.75 TSHR (0.62) ALDH1A1HTTKDM4ELMNATSHR
SCHEMBL123754 0.73 RAD51 (0.48) HSD11B1ALDH1A1HTTKDM4ELMNA
SCHEMBL29039874 0.73 HSD11B1 (0.62) HSD11B1ALDH1A1HTTKDM4ELMNA

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
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed