SCHEMBL7905798

SCHEMBL7905798

CC(C)CCOC(C)(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.31
THRB P10828 2/20 0.31
PKM P14618 1/20 0.31
THRA P10827 1/20 0.31
RARB P10826 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 1/20 0.30
TSHR P16473 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
SCHEMBL7905801 1.00 MAPK1 (0.39) MAPK1ALDH1A1HSD17B10THRBPKM
SCHEMBL344140 0.74 TSHR (0.35) ALDH1A1TSHR
SCHEMBL16077366 0.74 RARB (0.36) MAPK1RARBTSHR
SCHEMBL17446001 0.73 CYP2D6 (0.36) MAPK1RARBTDP1TSHR
SCHEMBL18811947 0.73 ALDH1A1 (0.37) MAPK1ALDH1A1CA1CA12CA2
SCHEMBL7913107 0.72 NAAA (0.41) THRBRARBTSHR
SCHEMBL7913105 0.72 NAAA (0.41) THRBRARBTSHR
SCHEMBL1696075 0.72 RARB (0.43) MAPK1RARBTDP1
SCHEMBL1838062 0.71 ALDH1A1 (0.35) MAPK1ALDH1A1CA1CA12CA2
SCHEMBL6000229 0.71 HMGCR (0.38) MAPK1ALDH1A1THRBTHRATDP1

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 5 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
EP-1047703-A1 A COMBINATORIAL LIBRARY OF MOENOMYCIN ANALOGS AND METHODS OF PRODUCING SAME Incara Pharmaceutical Corp. (US) 2000-11-02 EP disclosed
US-6114309-A REACTION PRODUCT OF MONOSACCHARIDE, DISACCHARIDE AND LIPOPHOSPHOGLYCERATE MINETIC INCARA RESEARCH LABORATORIES (US) 2000-09-05 US disclosed
WO-1999026956-A1 A COMBINATORIAL LIBRARY OF MOENOMYCIN ANALOGS AND METHODS OF PRODUCING SAME INCARA PHARMACEUTICAL CORP. (US) 1999-06-03 WO disclosed