SCHEMBL7735322

SCHEMBL7735322

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.55
THRB P10828 3/20 0.55
C5AR1 P21730 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
FFAR1 O14842 2/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 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
SCHEMBL7734914 0.92 THRA (0.55) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7735292 0.91 C5AR1 (0.47) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7734115 0.91 THRA (0.54) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7725137 0.89 THRA (0.52) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7725082 0.85 THRA (0.53) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7724906 0.84 THRA (0.61) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7733919 0.83 THRA (0.45) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL7734901 0.83 THRA (0.50) THRATHRBC5AR1ALDH1A1MEN1
SCHEMBL3684041 0.82 THRA (0.48) THRATHRBALDH1A1HTTNPSR1
SCHEMBL7734903 0.82 THRA (0.57) 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