SCHEMBL7724906

SCHEMBL7724906

O=C(O)CCc1cc(O)c(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.61
THRB P10828 4/20 0.61
FFAR1 O14842 6/20 0.41
FFAR4 Q5NUL3 5/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
C5AR1 P21730 1/20 0.39
FABP4 P15090 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL3687588 0.89 THRA (0.54) THRATHRBFFAR1FFAR4FABP4
SCHEMBL7737493 0.89 THRB (0.48) THRATHRBMCL1BCL2A1C5AR1
SCHEMBL7734903 0.86 THRA (0.57) THRATHRBFFAR1FFAR4C5AR1
SCHEMBL7734914 0.84 THRA (0.55) THRATHRBFFAR1FFAR4MCL1
SCHEMBL7735322 0.84 THRA (0.55) THRATHRBFFAR1FFAR4MCL1
SCHEMBL7734115 0.83 THRA (0.54) THRATHRBFFAR1FFAR4MCL1
SCHEMBL7725137 0.83 THRA (0.52) THRATHRBFFAR1FFAR4MCL1
SCHEMBL7725082 0.82 THRA (0.53) THRATHRBFFAR1MCL1BCL2A1
SCHEMBL1013811 0.82 THRA (0.54) THRATHRBFFAR1FFAR4C5AR1
SCHEMBL7725119 0.81 THRA (0.52) THRATHRBFFAR1FFAR4C5AR1

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