SCHEMBL4785197

SCHEMBL4785197

COc1ccccc1-c1ccc(S(=O)(=O)NC2Cc3ccc(CCC(=O)O)cc3C2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.45
SLC2A1 P11166 1/20 0.44
FFAR1 O14842 2/20 0.44
APOB P04114 4/20 0.42
MTTP P55157 4/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MME P08473 1/20 0.41
MMEL1 Q495T6 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
FABP4 P15090 1/20 0.40
SFRP1 Q8N474 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL4783715 0.91 NR1H2 (0.46) NR1H2FFAR1APOBMTTPMME
SCHEMBL4785575 0.91 NR1H2 (0.43) NR1H2SLC2A1APOBMTTP
SCHEMBL4783160 0.90 NR1H2 (0.45) NR1H2SLC2A1FFAR1APOBMTTP
SCHEMBL4783983 0.90 APOB (0.44) NR1H2SLC2A1FFAR1APOBMTTP
SCHEMBL4783379 0.89 NR1H2 (0.43) NR1H2SLC2A1FFAR1APOBMTTP
SCHEMBL4782467 0.89 NR1H2 (0.43) NR1H2FFAR1APOBMTTPMME
SCHEMBL4781106 0.89 APOB (0.47) NR1H2FFAR1APOBMTTPMME
SCHEMBL4783332 0.88 NR1H2 (0.43) NR1H2FFAR1APOBMTTPMME
SCHEMBL4784895 0.87 APOB (0.46) NR1H2FFAR1APOBMTTPSFRP1
SCHEMBL4781127 0.83 NR1H2 (0.51) NR1H2FFAR1APOBMTTPFFAR4

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 2 patents. 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
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