SCHEMBL7725103

SCHEMBL7725103

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
MCL1 Q07820 2/20 0.42
BCL2A1 Q16548 2/20 0.42
CYP19A1 P11511 1/20 0.41
PTPN1 P18031 2/20 0.41
C5AR1 P21730 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 2/20 0.37
EDNRA P25101 1/20 0.36
CNR1 P21554 1/20 0.36
SCN5A Q14524 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL7725082 0.93 THRA (0.53) THRATHRBMCL1BCL2A1CYP19A1
SCHEMBL7735851 0.90 THRA (0.42) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7733919 0.87 THRA (0.45) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7735292 0.87 C5AR1 (0.47) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7737493 0.85 THRB (0.48) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7735782 0.85 THRA (0.43) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7725159 0.84 THRA (0.47) THRATHRBMCL1BCL2A1PTPN1
SCHEMBL7734901 0.83 THRA (0.50) THRATHRBMCL1BCL2A1C5AR1
SCHEMBL7735167 0.83 THRA (0.44) THRATHRBMCL1BCL2A1CYP19A1
SCHEMBL7734071 0.82 ALDH1A1 (0.42) 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 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