SCHEMBL8917793

SCHEMBL8917793

O=S(=O)(Nn1ncc2ccc3cc(CO)ccc3c21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
PPARG P37231 5/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8919219 0.87 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8916161 0.86 NR3C1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL8916271 0.86 CA1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL8918872 0.85 KDM1A (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8917772 0.85 CA1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL8916626 0.85 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL8917201 0.85 ELANE (0.32)
SCHEMBL8918908 0.83 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8918757 0.83 ALDH1A1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8918164 0.83 PPARG (0.41) CA1CA2MMP1MMP2MMP9

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed