SCHEMBL8622493

SCHEMBL8622493

CC(C)=Cc1cccc(OC(CCCc2ccccc2)(P(=O)(O)O)S(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.35
GGPS1 O95749 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
PKM P14618 1/20 0.33
AKR1C3 P42330 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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 0.75 AKR1C3 (0.40) FDPSGGPS1PPARGPPARAAKR1C3
SCHEMBL8622492 0.73 FDFT1 (0.40)
SCHEMBL8624786 0.71 FDPS (0.37) FDPSGGPS1
SCHEMBL8624703 0.71 FDPS (0.38) FDPSGGPS1HPGD
SCHEMBL8625448 0.70 KDM4E (0.40) FDPSGGPS1ALDH1A1KDM4EAKR1C3
SCHEMBL8621533 0.69 FDPS (0.37) FDPSGGPS1PKM
SCHEMBL8947053 0.69 FDFT1 (0.48)
SCHEMBL14198058 0.65 MAOB (0.65) ALDH1A1KDM4EPKMHPGDMAPK1
SCHEMBL8620663 0.65 FDFT1 (0.51)
SCHEMBL9631998 0.63 S1PR1 (0.37) FDPS

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