SCHEMBL7725137

SCHEMBL7725137

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
C5AR1 P21730 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MCL1 Q07820 2/20 0.39
BCL2A1 Q16548 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
PTGES O14684 1/20 0.36
SLC6A9 P48067 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
CHRM3 P20309 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
SCHEMBL7735782 0.93 THRA (0.43) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7734115 0.90 THRA (0.54) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7734914 0.89 THRA (0.55) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7735322 0.89 THRA (0.55) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7734901 0.85 THRA (0.50) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL8063894 0.85 C5AR1 (0.39) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7725082 0.84 THRA (0.53) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7724906 0.83 THRA (0.61) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7735292 0.82 C5AR1 (0.47) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7733919 0.82 THRA (0.45) THRATHRBC5AR1ALDH1A1MEN1

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