SCHEMBL7734115

SCHEMBL7734115

CC(=O)Nc1cc(CCC(=O)O)cc(-c2ccccc2)c1OCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.54
THRB P10828 3/20 0.54
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
C5AR1 P21730 1/20 0.42
MCL1 Q07820 2/20 0.40
BCL2A1 Q16548 2/20 0.40
FFAR1 O14842 1/20 0.40
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL7733919 0.92 THRA (0.45) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7734914 0.91 THRA (0.55) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7735322 0.91 THRA (0.55) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL3684041 0.91 THRA (0.48) THRATHRBALDH1A1HTTNPSR1
SCHEMBL7734923 0.90 THRA (0.43) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7725137 0.90 THRA (0.52) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7725082 0.87 THRA (0.53) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7735292 0.85 C5AR1 (0.47) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7734901 0.84 THRA (0.50) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL7724906 0.83 THRA (0.61) THRATHRBALDH1A1MEN1KMT2A

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