SCHEMBL8625448

SCHEMBL8625448

C=CCc1ccccc1OC(CCCc1ccccc1)(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
FDPS P14324 7/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRB2 P07550 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
GGPS1 O95749 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
SCHEMBL8625457 0.88 AKR1C3 (0.40) FDPSAKR1C3AKR1C2GGPS1
SCHEMBL8624703 0.84 FDPS (0.38) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8621533 0.82 FDPS (0.37) FDPSADRB2PTGER1PTGER4PTGER3
SCHEMBL8625443 0.72 KDM4E (0.38) KDM4EAKR1C3AKR1C2ADRB2
SCHEMBL8622493 0.70 FDPS (0.35) KDM4EFDPSAKR1C3ALDH1A1GGPS1
Phosphoric Acid SCHEMBL23302571 0.68 ICAM1 (0.46) KDM4EALDH1A1ADRB2
Sulfuric Acid SCHEMBL6263795 0.68 ICAM1 (0.46) KDM4EALDH1A1ADRB2
SCHEMBL9545863 0.67 KDM4E (0.40) KDM4EALDH1A1ADRB2
Sulfuric Acid SCHEMBL21225308 0.67 ICAM1 (0.45) KDM4EALDH1A1ADRB2
Sulfuric Acid SCHEMBL1678480 0.66 ICAM1 (0.47) KDM4EALDH1A1ADRB2

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-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US claimed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed