SCHEMBL5709172

SCHEMBL5709172

OCCC(O)CC1COCCCCO1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL6436029 0.81
SCHEMBL6836741 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3
SCHEMBL1395058 0.73 PDK1 (0.39) CHRM2CHRM4CHRM5CHRM3
SCHEMBL2846269 0.71 PDK1 (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL981080 0.70 ALDH1A1 (0.35)
SCHEMBL30766147 0.70 PTPN1 (0.33)
SCHEMBL11802868 0.69
SCHEMBL11025614 0.68 USP2 (0.34)
SCHEMBL9450309 0.67 CHRM2 (0.45) THRBCHRM2CHRM4CHRM5CHRM3
Oxirane SCHEMBL11531139 0.67 ALDH1A1 (0.35)

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-1458327-B1 DEVICE FOR DENTAL APPLICATIONS KANCA JOHN III (US) 2006-12-06 EP disclosed