SCHEMBL7735292

SCHEMBL7735292

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.47
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
DHODH Q02127 1/20 0.36
MGLL Q99685 1/20 0.36
GPR88 Q9GZN0 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
SCHEMBL7733919 0.93 THRA (0.45) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7735322 0.91 THRA (0.55) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7735782 0.90 THRA (0.43) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7734071 0.88 ALDH1A1 (0.42) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7725159 0.87 THRA (0.47) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7725103 0.87 THRA (0.44) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7737493 0.86 THRB (0.48) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7735851 0.85 THRA (0.42) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7734115 0.85 THRA (0.54) C5AR1THRATHRBALDH1A1MEN1
SCHEMBL7734914 0.83 THRA (0.55) C5AR1THRATHRBALDH1A1MEN1

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