SCHEMBL7725159

SCHEMBL7725159

COC(=O)CCc1cc(N)c(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
C5AR1 P21730 3/20 0.45
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.37
MCL1 Q07820 1/20 0.37
BCL2A1 Q16548 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3882050 0.89 CCNC (0.46) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7737493 0.89 THRB (0.48) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7735292 0.87 C5AR1 (0.47) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7733919 0.85 THRA (0.45) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7735167 0.85 THRA (0.44) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7725103 0.84 THRA (0.44) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7735782 0.83 THRA (0.43) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL7725535 0.82 C5AR1 (0.57) THRATHRBC5AR1PTPN1ALDH1A1
SCHEMBL3882329 0.82 THRA (0.38) THRATHRBALDH1A1
SCHEMBL7735851 0.82 THRA (0.42) THRATHRBC5AR1PTPN1ALDH1A1

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