SCHEMBL14142876

SCHEMBL14142876

CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](OCCCCBr)[C@@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ CA12 O43570 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL23742870 0.99 CA1 (0.54) CA1CA2CA9LMNACYP1A2
SCHEMBL14142774 0.99 CA1 (0.54) CA1CA2CA9LMNACYP1A2
SCHEMBL14142877 0.96 CA1 (0.56) CA1CA2CA9LMNACYP1A2
SCHEMBL9401432 0.88 CA1 (0.55) CA1CA2CA9LMNACYP1A2
SCHEMBL4203567 0.88 CA1 (0.55) CA1CA2CA9LMNACYP1A2
SCHEMBL15326594 0.88 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL13222912 0.88 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL14853701 0.88 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL15588618 0.88 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL16661388 0.88 CA1 (0.57) CA1CA2CA9LMNACYP1A2

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-1462484-B1 Colouring agent containing a mono- or disaccharide UNIV FIRENZE (IT) 2008-07-02 — — EP disclosed
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