SCHEMBL4907973

SCHEMBL4907973

CC(C)(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(OCC(=O)O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.46
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NR1H3 Q13133 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4783485 0.91 NR1H2 (0.54) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4783093 0.84 PSEN1 (0.43) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4782325 0.84 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL10391218 0.83 APOB (0.52) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4782323 0.82 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL4783187 0.80 NR1H2 (0.44) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4781822 0.80 NR1H2 (0.42) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4637035 0.79 SFRP1 (0.62)
SCHEMBL10390072 0.79 PTPN7 (0.53) NR1H2ALOX15TSHRHSD17B10NR1H3
SCHEMBL10391196 0.78 POLB (0.54) NR1H2ALOX15TSHRHSD17B10SMN1; SMN2

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 claimed