SCHEMBL9007988

SCHEMBL9007988

[CH2]c1cc([N+](=O)[O-])ccc1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ PTPN1 P18031 1/20 0.47
▸ CA1 P00915 11/20 0.45
▸ CA2 P00918 11/20 0.45
▸ CA12 O43570 10/20 0.45
▸ CA5A P35218 10/20 0.45
▸ CA5B Q9Y2D0 9/20 0.45
▸ CA4 P22748 8/20 0.45
▸ CA7 P43166 8/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ CA6 P23280 2/20 0.45
▸ CA13 Q8N1Q1 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ NR3C1 P04150 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL9007984 1.00 TSHR (0.55) TSHRPTPN1CA1CA2CA12
SCHEMBL6207548 0.84 TSHR (0.50) TSHRPTPN1CA1CA2CA12
SCHEMBL9007978 0.81 TSHR (0.69) TSHRPTPN1CA1CA2CA12
SCHEMBL9007982 0.81 TSHR (0.69) TSHRPTPN1CA1CA2CA12
SCHEMBL8946081 0.81 TSHR (0.47) TSHRPTPN1CA1CA2CA12
SCHEMBL3841982 0.81 TSHR (0.47) TSHRPTPN1CA1CA2CA12
SCHEMBL9008057 0.78 TSHR (0.60) TSHRPTPN1CA1CA2CA12
SCHEMBL9008049 0.78 TSHR (0.60) TSHRPTPN1CA1CA2CA12
SCHEMBL8946221 0.75 HSD17B10 (0.47) TSHRCA1CA2CA12CA5A
SCHEMBL7051328 0.74 LMNA (0.54) TSHRCA1CA2CA12CA5A

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 6 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 claimed
WO-1992019639-A1 GLYCOSYLATED PRODRUGS, METHOD OF PREPARATION AND USE LABORATOIRES HOECHST (FR) 1992-11-12 — — WO claimed
EP-0511917-A1 Glycosylated prodrugs, process for their preparation and uses thereof LABORATOIRES HOECHST S.A. (FR) 1992-11-04 — — EP claimed
EP-0511917-B1 Glycosylated prodrugs, process for their preparation and uses thereof HOECHST SA LAB (FR) 1996-10-23 — — EP disclosed
WO-1992019639-A1 GLYCOSYLATED PRODRUGS, METHOD OF PREPARATION AND USE LABORATOIRES HOECHST (FR) 1992-11-12 — — WO 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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