SCHEMBL9008049

SCHEMBL9008049

[CH2]c1ccc([C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ PTPN1 P18031 1/20 0.52
▸ CA12 O43570 8/20 0.48
▸ CA1 P00915 8/20 0.48
▸ CA2 P00918 7/20 0.48
▸ CA9 Q16790 6/20 0.48
▸ CA4 P22748 6/20 0.48
▸ CA5A P35218 6/20 0.48
▸ CA7 P43166 6/20 0.48
▸ CA5B Q9Y2D0 6/20 0.48
▸ CA6 P23280 4/20 0.48
▸ CA13 Q8N1Q1 4/20 0.48
▸ CA14 Q9ULX7 4/20 0.48
▸ NR3C1 P04150 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL9008057 1.00 TSHR (0.60) TSHRPTPN1CA12CA1CA2
SCHEMBL9007979 0.82 TSHR (0.79) TSHRPTPN1CA12CA1CA2
SCHEMBL9008026 0.82 TSHR (0.79) TSHRPTPN1CA12CA1CA2
SCHEMBL9008023 0.82 TSHR (0.79) TSHRPTPN1CA12CA1CA2
SCHEMBL9007978 0.81 TSHR (0.69) TSHRPTPN1CA12CA1CA2
SCHEMBL9007982 0.81 TSHR (0.69) TSHRPTPN1CA12CA1CA2
SCHEMBL3482795 0.78 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL4368202 0.78 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL9007984 0.78 TSHR (0.55) TSHRPTPN1CA12CA1CA2
SCHEMBL9007988 0.78 TSHR (0.55) TSHRPTPN1CA12CA1CA2

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
EP-0511917-B1 Glycosylated prodrugs, process for their preparation and uses thereof HOECHST SA LAB (FR) 1996-10-23 — — EP disclosed
EP-0511917-A1 Glycosylated prodrugs, process for their preparation and uses thereof LABORATOIRES HOECHST S.A. (FR) 1992-11-04 — — EP disclosed
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