SCHEMBL11296871

SCHEMBL11296871

COC(=O)C1(CCCCCOCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
SLC6A2 P23975 2/20 0.36
HRH1 P35367 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
CHRM4 P08173 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL11299822 0.88 ABCB11 (0.42) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11296901 0.88 LMNA (0.61) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11297976 0.87 MAPT (0.41) ABCB11LMNAMAPTMAPK1MME
SCHEMBL11293008 0.85 ABCB11 (0.61) ABCB11LMNAMAPTMAPK1CHRM2
SCHEMBL11289986 0.84 MAPT (0.65) ABCB11LMNAMAPTMAPK1CHRM2
SCHEMBL11296990 0.83 LMNA (0.39) ABCB11LMNAMAPTMAPK1KMT2A
SCHEMBL15258345 0.83 ABCB11 (0.78) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL7486243 0.83 ABCB11 (0.42) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11299997 0.83 LMNA (0.70) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11297005 0.81 LMNA (0.67) ABCB11LMNAMAPTMAPK1SLC6A2

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-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed