SCHEMBL11166359

SCHEMBL11166359

CCCCCCCSc1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
ALDH1A1 P00352 7/20 0.47
PLK1 P53350 4/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC2A1 P11166 1/20 0.42
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SOAT1 P35610 4/20 0.39

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
SCHEMBL11437314 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL11311491 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL10401962 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL11440269 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL6689838 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL3844526 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL11309662 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL11317920 1.00 THRB (0.49) THRBTHRAALDH1A1PLK1HPGD
SCHEMBL3405047 0.93 ALDH1A1 (0.50) THRBTHRAALDH1A1HPGDMAPT
SCHEMBL11437132 0.89 TRPV1 (0.46) THRBTHRAALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089154-A2 Ethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed