SCHEMBL8625455

SCHEMBL8625455

CC(C)=CCc1ccccc1OOP(=O)(O)C(CCCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.39
AKR1C2 P52895 5/20 0.39
AKR1C4 P17516 1/20 0.37
FDFT1 P37268 3/20 0.36
CRHBP P24387 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CRHR2 Q13324 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP1 Q9NZ08 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
SCHEMBL8625443 0.88 KDM4E (0.38) AKR1C3AKR1C2FDFT1ANPEPERAP1
SCHEMBL8624700 0.85 FDFT1 (0.38) FDFT1PPARGANPEPERAP1
SCHEMBL8621531 0.85 FDFT1 (0.38) FDFT1PPARGANPEPERAP1
SCHEMBL8625452 0.78 AKR1C3 (0.35) AKR1C3AKR1C2AKR1C4FDFT1
SCHEMBL8947075 0.78 FDFT1 (0.53) FDFT1
SCHEMBL8622492 0.75 FDFT1 (0.40) FDFT1
SCHEMBL8625457 0.73 AKR1C3 (0.40) AKR1C3AKR1C2AKR1C4CRHBPPPARG
SCHEMBL8947080 0.73 AKR1C3 (0.35) AKR1C3AKR1C2AKR1C4CRHBPPPARG
SCHEMBL8621508 0.68 FDFT1 (0.49) FDFT1ANPEPERAP1
SCHEMBL8619968 0.66 POLB (0.47) FDFT1

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