SCHEMBL7724931

SCHEMBL7724931

NC(=O)CCc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.56
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SRC P12931 2/20 0.42
PTGER1 P34995 1/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 2/20 0.41
XDH P47989 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1013811 0.91 THRA (0.54) C5AR1THRATHRBMEN1KMT2A
SCHEMBL7725119 0.90 THRA (0.52) C5AR1THRATHRBPTGER1PTGDR2
SCHEMBL7725535 0.87 C5AR1 (0.57) C5AR1THRATHRBMEN1KMT2A
SCHEMBL7734859 0.87 C5AR1 (0.51) C5AR1THRATHRBPTGER1
SCHEMBL7725141 0.86 C5AR1 (0.55) C5AR1THRATHRBMEN1KMT2A
SCHEMBL7734106 0.85 C5AR1 (0.49) C5AR1THRATHRBPTGER1PTGDR2
SCHEMBL7734075 0.83 C5AR1 (0.52) C5AR1MEN1KMT2ASRC
SCHEMBL7735134 0.82 THRA (0.52) C5AR1THRATHRBMEN1KMT2A
SCHEMBL8984902 0.82 THRA (0.60) C5AR1THRATHRBMEN1KMT2A
SCHEMBL7734891 0.82 C5AR1 (0.51) C5AR1MEN1KMT2APTGDR2

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