SCHEMBL8624703

SCHEMBL8624703

COCCc1ccccc1OC(CCCc1ccccc1)(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
GGPS1 O95749 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRB P23467 1/20 0.36
PTPRG P23470 1/20 0.36
ACP1 P24666 1/20 0.36
HPGD P15428 1/20 0.36
ABCB1 P08183 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL8621533 0.87 FDPS (0.37) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8624786 0.85 FDPS (0.37) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8625457 0.84 AKR1C3 (0.40) FDPSGGPS1
SCHEMBL8625448 0.84 KDM4E (0.40) FDPSPTGER1PTGER4PTGER3PTGER2
SCHEMBL8624700 0.71 FDFT1 (0.38) HPGD
SCHEMBL8622493 0.71 FDPS (0.35) FDPSGGPS1HPGD
SCHEMBL10252335 0.66 HTR1A (0.69) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL2091568 0.65 SLC6A3 (0.49) SIGMAR1
SCHEMBL24041895 0.65 HTR1A (0.46) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8947210 0.65 CETP (0.51) FDPSGGPS1HPGD

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