SCHEMBL4781822

SCHEMBL4781822

CC(C)c1ccc(S(=O)(=O)NC2Cc3ccc(OCC(=O)O)cc3C2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
ADRB3 P13945 3/20 0.40
ADRB1 P08588 1/20 0.40
ADAMTS4 O75173 1/20 0.40
GRIA2 P42262 3/20 0.39
AGER Q15109 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
PTGDR Q13258 1/20 0.36
SFRP1 Q8N474 2/20 0.36

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
SCHEMBL4782721 0.92 NR1H2 (0.41) NR1H2ADAMTS4GRIA2ALDH1A1HTR1A
SCHEMBL4783187 0.86 NR1H2 (0.44) NR1H2ADRB3ADRB1ADAMTS4AGER
SCHEMBL4783485 0.85 NR1H2 (0.54) NR1H2ADRB3ADRB1AGERTSHR
SCHEMBL4783419 0.83 NR1H2 (0.43) NR1H2GRIA2
SCHEMBL4783415 0.81 NR1H2 (0.41) NR1H2GRIA2
SCHEMBL4907973 0.80 NR1H2 (0.46) NR1H2ADRB3ADRB1TSHRALOX15
SCHEMBL4783093 0.79 PSEN1 (0.43) NR1H2ADRB3ADRB1TSHRALOX15
SCHEMBL4784110 0.78 TRPV4 (0.43) NR1H2GRIA2SFRP1IDH1
SCHEMBL4783995 0.78 NR1H2 (0.43) NR1H2GRIA2HTR1AHTR7SFRP1
SCHEMBL4781466 0.78 NR1H2 (0.47) NR1H2ADAMTS4SFRP1HDAC8

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
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed