SCHEMBL7734901

SCHEMBL7734901

CN(C)S(=O)(=O)Nc1cc(CCC(=O)O)cc(-c2ccccc2)c1OCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
MCL1 Q07820 2/20 0.43
BCL2A1 Q16548 2/20 0.43
FFAR1 O14842 3/20 0.39
SCN9A Q15858 3/20 0.38
C5AR1 P21730 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
TBXAS1 P24557 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP3 P08254 1/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL7735851 0.93 THRA (0.42) THRATHRBMCL1BCL2A1SCN9A
SCHEMBL7725082 0.90 THRA (0.53) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL8077333 0.86 MCL1 (0.42) THRATHRBMCL1BCL2A1SCN9A
SCHEMBL7725137 0.85 THRA (0.52) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL7734115 0.84 THRA (0.54) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL7734914 0.83 THRA (0.55) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL7735322 0.83 THRA (0.55) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL7725103 0.83 THRA (0.44) THRATHRBMCL1BCL2A1SCN9A
SCHEMBL7724906 0.80 THRA (0.61) THRATHRBMCL1BCL2A1FFAR1
SCHEMBL7734903 0.79 THRA (0.57) THRATHRBFFAR1C5AR1FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US claimed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP claimed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed