SCHEMBL7913158

SCHEMBL7913158

CC(C)(C)C(=O)OC[C@H]1O[C@@H](OSc2ccccc2)[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 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ ANTXR2 P58335 3/20 0.39
▸ F11 P03951 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ELANE P08246 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA5B Q9Y2D0 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7913146 1.00 TSHR (0.42) TSHRANTXR2F11LMNAELANE
SCHEMBL7914158 1.00 TSHR (0.42) TSHRANTXR2F11LMNAELANE
SCHEMBL8616099 0.83 TSHR (0.62) TSHRLMNAPTPN1KMT2ACYP2D6
SCHEMBL7913115 0.82 FKBP1A (0.32) ELANEKMT2A
SCHEMBL7905755 0.82 CA12 (0.48) TSHRANTXR2LMNAALDH1A1CA12
SCHEMBL8507736 0.82 CA12 (0.53) TSHRLMNAALDH1A1CA12CA1
SCHEMBL7995830 0.82 CA12 (0.53) TSHRLMNAALDH1A1CA12CA1
SCHEMBL7905847 0.82 CA12 (0.53) TSHRLMNAALDH1A1CA12CA1
SCHEMBL7455747 0.82 CA12 (0.53) TSHRLMNAALDH1A1CA12CA1
SCHEMBL7986114 0.82 CA12 (0.53) TSHRLMNAALDH1A1CA12CA1

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 3 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
US-6114309-A REACTION PRODUCT OF MONOSACCHARIDE, DISACCHARIDE AND LIPOPHOSPHOGLYCERATE MINETIC INCARA RESEARCH LABORATORIES (US) 2000-09-05 — — US disclosed
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