SCHEMBL9548495

SCHEMBL9548495

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.36
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTPN1 P18031 2/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7566949 1.00 TSHR (0.40) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4820346 1.00 TSHR (0.40) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4824687 0.88 SELP (0.39) TSHRKMT2APTPN1
SCHEMBL7574353 0.84 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL8935607 0.84 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL4881651 0.84 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7566645 0.84 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL7565147 0.84 TSHR (0.59) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL23563202 0.83 ALDH1A1 (0.39) TSHRLMNAKMT2ACYP2D6ALDH1A1
SCHEMBL9300189 0.83 ALDH1A1 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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