SCHEMBL7319062

SCHEMBL7319062

C=Cc1ccc(SCCCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC2A1 P11166 1/20 0.40
PLK1 P53350 4/20 0.38
PTGS2 P35354 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
AR P10275 2/20 0.36
HPGD P15428 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
SCHEMBL25832110 0.98 THRB (0.46) MAOAMAOBTHRBTHRAALDH1A1
SCHEMBL10495730 0.86 CA12 (0.47) MAOAMAOBALDH1A1CHRNB2CHRNB4
SCHEMBL13790265 0.83 THRB (0.48) MAOAMAOBTHRBTHRASLC2A1
SCHEMBL11567371 0.82 THRB (0.56) MAOAMAOBTHRBTHRASLC2A1
SCHEMBL21575599 0.82 THRB (0.56) MAOAMAOBTHRBTHRASLC2A1
SCHEMBL11569857 0.82 THRB (0.56) MAOAMAOBTHRBTHRASLC2A1
SCHEMBL21575598 0.82 THRB (0.56) MAOAMAOBTHRBTHRASLC2A1
SCHEMBL15500410 0.81 MAOA (0.44) MAOAMAOBTHRBTHRAALDH1A1
SCHEMBL7319055 0.81 MAOA (0.44) MAOAMAOBTHRBTHRAALDH1A1
SCHEMBL11437314 0.80 THRB (0.49) MAOAMAOBTHRBTHRAALDH1A1

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-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed