SCHEMBL8621533

SCHEMBL8621533

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.37
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
GGPS1 O95749 1/20 0.35
HTR2A P28223 1/20 0.35
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8624703 0.87 FDPS (0.38) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8624786 0.83 FDPS (0.37) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8625457 0.82 AKR1C3 (0.40) FDPSGGPS1
SCHEMBL8625448 0.82 KDM4E (0.40) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8621531 0.74 FDFT1 (0.38) HTR2ALMNAPKM
SCHEMBL8622493 0.69 FDPS (0.35) FDPSGGPS1PKM
SCHEMBL8621528 0.68 HTR2A (0.40) HTR2AADRB2
SCHEMBL8947009 0.67 FDFT1 (0.56)
SCHEMBL8947013 0.67 HTR2A (0.35) HTR2A
Hydrogen Peroxide SCHEMBL9581085 0.65 TSHR (0.55) LMNAPKM

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