SCHEMBL9401432

SCHEMBL9401432

CCCCCCCCCCCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GBA1 P04062 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ 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
▸ TDP1 Q9NUW8 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
SCHEMBL4203567 1.00 CA1 (0.55) CA1CA2CA9LMNACYP1A2
SCHEMBL10099484 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL14853701 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL14817675 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL15588618 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL13222912 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL15326594 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL14605408 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL16661388 0.95 CA1 (0.57) CA1CA2CA9LMNACYP1A2
SCHEMBL10182466 0.95 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298494-A Glucofuranose derivatives GREENWICH PHARMACEUTICALS INCORPORATED (US) 1994-03-29 — — US disclosed
WO-1992004359-A2 MONOSACCHARIDES HAVING ANTI-PROLIFERATION AND ANTI-INFLAMMATORY ACTIVITY, COMPOSITIONS AND USES THEREOF GREENWICH PHARMACEUTICALS, INC. (US) 1992-03-19 — — WO disclosed
Send feedback