SCHEMBL7733919

SCHEMBL7733919

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
ALDH1A1 P00352 4/20 0.43
C5AR1 P21730 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN1 P18031 2/20 0.40
DHODH Q02127 1/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL7735292 0.93 C5AR1 (0.47) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7734115 0.92 THRA (0.54) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7735782 0.90 THRA (0.43) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7734071 0.89 ALDH1A1 (0.42) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7725103 0.87 THRA (0.44) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7737493 0.86 THRB (0.48) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7725159 0.85 THRA (0.47) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7735851 0.85 THRA (0.42) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7735322 0.83 THRA (0.55) THRATHRBALDH1A1C5AR1TDP1
SCHEMBL7734914 0.83 THRA (0.55) THRATHRBALDH1A1C5AR1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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