SCHEMBL7998942

SCHEMBL7998942

CS(=O)(=O)c1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A3 Q01959 3/20 0.51
KIF11 P52732 1/20 0.44
NR1H3 Q13133 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
PTGS2 P35354 3/20 0.41
P2RY1 P47900 1/20 0.41
NR3C1 P04150 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GCK P35557 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
SCHEMBL2646108 0.83 ALPL (0.46) MRGPRX1SLC22A12CNR2ALDH1A1L3MBTL1
SCHEMBL7450024 0.79 HTR2A (0.47) SLC6A4SLC6A2SLC6A3PTGS2MAPT
SCHEMBL5892840 0.76 TTR (0.45) PTGS2ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL6925883 0.75 PTGS2 (0.60) SLC6A4SLC6A3KIF11PTGS2NR3C1
SCHEMBL13680420 0.75 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3P2RY1ALDH1A1
SCHEMBL5546503 0.74 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3MAPTHTT
SCHEMBL12952672 0.72 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KIF11NR3C1
SCHEMBL514383 0.72 PTGS2 (0.65) SLC6A4SLC6A3KIF11PTGS2MMP2
SCHEMBL5209305 0.72 CA12 (0.48) PTGS2NR3C1MAPTALDH1A1GCK
SCHEMBL5547961 0.71 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KIF11P2RY1

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-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed