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SCHEMBL15212059

SCHEMBL15212059

COc1ccc(C(CCCS)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ CA4 P22748 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7706703 0.85 KIF11 (0.73) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL10877618 0.85 KIF11 (0.73) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL9106222 0.84 KIF11 (0.61) KIF11KCNH2SMN1; SMN2
SCHEMBL22150730 0.83 KIF11 (0.71) KIF11KCNH2CA4LMNAHTT
SCHEMBL7708779 0.82 KIF11 (0.69) KIF11KCNH2CA4LMNAHTT
SCHEMBL15212173 0.81 KIF11 (0.68) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL29060869 0.81 KIF11 (0.88) KIF11KCNH2SMN1; SMN2
SCHEMBL8972758 0.81 KIF11 (0.68) KIF11KCNH2LTA4HLMNAHTT
SCHEMBL7708780 0.80 KIF11 (0.66) KIF11KCNH2HTT
SCHEMBL5058831 0.79 KIF11 (0.66) KIF11KCNH2CA4LTA4HLMNA

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
WO-2013126034-A1 SYNTHESIS OF HIGH PURITY DMT-C3-DISULFIDE PHOSPHORAMIDITE CHEMGENES CORPORATION (US) 2013-08-29 — — WO disclosed