SCHEMBL7905755

SCHEMBL7905755

CC(C)(C)C(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 12/20 0.48
▸ CA1 P00915 12/20 0.48
▸ CA2 P00918 12/20 0.48
▸ CA4 P22748 3/20 0.48
▸ CA5A P35218 3/20 0.48
▸ CA7 P43166 3/20 0.48
▸ CA5B Q9Y2D0 3/20 0.48
▸ CA9 Q16790 9/20 0.45
▸ ANTXR2 P58335 1/20 0.42
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL7995830 0.93 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL8507736 0.93 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL7905847 0.93 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL7455747 0.93 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL7986114 0.93 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL18927631 0.85 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL18927632 0.85 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL8678884 0.85 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL7913158 0.82 TSHR (0.42) CA12CA1CA2CA4CA5A
SCHEMBL7914158 0.82 TSHR (0.42) CA12CA1CA2CA4CA5A

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-6274716-B1 COMPRISE DISACCHARIDES AND TRISACCHARIDES COVALENTLY BONDED TO LIPID OR LIPID MIMETIC THROUGH PHOSPHOROUS LINKAGE; SCREENED FOR ANTI-MICROBIAL ACTIVITY BY CONTACTING THEM WITH CULTURE OF MICROBES AND MONITORING THE GROWTH RATE ADVANCED MEDICINE, INC. 2001-08-14 — — US disclosed
US-6207820-B1 SOLID PHASE SYNTHESIS BY LINKING ACCEPTOR MONOSACCHARIDE TO SUPPORT FORMING CARBOXYLATE OR CARBOXYAMIDE LINKAGE, COVALENTLY LINKING DONOR SACCHARIDE BY O-GLYCOSIDIC LINKAGE, COUPLING LIPOPHOSPHOGLYCERATE MIMETIC, CLEAVING FROM SUPPORT INCARA RESEARCH LABORATORIES 2001-03-27 — — US disclosed
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