SCHEMBL14601634

SCHEMBL14601634

OCC(O)C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 16/20 0.63
PTGER1 P34995 7/20 0.63
PTGER2 P43116 1/20 0.63
SLCO2A1 Q92959 1/20 0.56
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ABCB11 O95342 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGS1 P23219 1/20 0.44

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
SCHEMBL24226152 0.88 PTGFR (0.67) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL14627145 0.88 PTGFR (0.67) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL19152027 0.84 PTGFR (0.66) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL23975177 0.84 PTGFR (0.66) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL18939648 0.84 PTGFR (0.66) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL7124357 0.82 PTGFR (0.74) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL7124363 0.82 PTGFR (0.74) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL14624416 0.81 PTGFR (0.62) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL21940493 0.81 PTGFR (0.62) PTGFRPTGER1PTGER2SLCO2A1KDM4E
SCHEMBL14624750 0.81 PTGFR (0.62) PTGFRPTGER1PTGER2SLCO2A1KDM4E

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-7161042-B2 Protected diols for prostaglandin synthesis JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2007-01-09 US disclosed
US-7161042-B2 Protected diols for prostaglandin synthesis JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2007-01-09 US disclosed