SCHEMBL9670741

SCHEMBL9670741

CN(C)CCCCCSc1ccc(SCCCCCN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.55
THRA P10827 1/20 0.55
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SLC6A4 P31645 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RYR2 Q92736 1/20 0.41
DNM1 Q05193 2/20 0.41
CA2 P00918 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL9672873 0.91 SLC2A1 (0.57) THRBTHRASLC2A1ALDH1A1SLC6A4
SCHEMBL10226109 0.88 ALDH1A1 (0.54) THRBTHRAALDH1A1SIGMAR1
SCHEMBL11478126 0.82 SLC2A1 (0.49) THRBTHRASLC2A1ALDH1A1SLC6A4
SCHEMBL5092231 0.82 SLC2A1 (0.49) THRBTHRASLC2A1ALDH1A1SLC6A4
SCHEMBL11534561 0.81 ALDH1A1 (0.56) SLC2A1ALDH1A1SIGMAR1KDM4E
SCHEMBL9670815 0.79 SLC2A1 (0.76) THRBTHRASLC2A1ALDH1A1SIGMAR1
Methylamine SCHEMBL9871536 0.78 ALDH1A1 (0.52) SLC2A1ALDH1A1SLC6A4SIGMAR1KDM4E
SCHEMBL6057646 0.77 THRB (0.58) THRBTHRASLC2A1ALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL6057774 0.76 THRB (0.57) THRBTHRASLC2A1ALDH1A1SLC6A4
SCHEMBL8588324 0.76 SLC6A4 (0.58) THRBTHRASLC2A1ALDH1A1SLC6A4

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
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed