SCHEMBL8935607

SCHEMBL8935607

CC(=O)OC[C@H]1O[C@@H](OP(=O)(Cc2ccccc2)Cc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
LMNA P02545 2/20 0.57
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PAX8 Q06710 1/20 0.47
PRKCA P17252 1/20 0.47
AKT1 P31749 1/20 0.47
PTK2 Q05397 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
POLB P06746 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
SCHEMBL7565147 1.00 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4881651 1.00 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7574353 1.00 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7566645 1.00 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4930970 0.88 LMNA (0.71) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7566963 0.88 LMNA (0.71) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL14268504 0.85 TSHR (0.57) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9548495 0.84 TSHR (0.40) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7566949 0.84 TSHR (0.40) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4820346 0.84 TSHR (0.40) TSHRLMNAKMT2ACYP2D6ALDH1A1

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
EP-0642526-A4 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE. SCRIPPS RESEARCH INST (US) 1996-04-10 EP claimed
EP-0642526-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-15 EP claimed
WO-1993008205-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1993-04-29 WO claimed