SCHEMBL8623391

SCHEMBL8623391

OCCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
FFAR1 O14842 2/20 0.55
HDAC2 Q92769 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 1/20 0.51
MGLL Q99685 1/20 0.49
FDFT1 P37268 2/20 0.49
MMP12 P39900 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
CA2 P00918 1/20 0.47
CNR2 P34972 1/20 0.46

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
SCHEMBL81999 1.00 LTA4H (0.56) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL2162241 0.93 HDAC2 (0.56) LTA4HEPHX2FFAR1HDAC2TDP1
Biphenyl SCHEMBL27528312 0.93 TDP1 (0.61) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL5534575 0.91 HDAC2 (0.57) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL5540196 0.91 HDAC2 (0.57) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL3535251 0.91 CA2 (0.54) LTA4HEPHX2FFAR1TDP1CA2
SCHEMBL10001880 0.89 MEN1 (0.53) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL19730229 0.87 MEN1 (0.46) LTA4HEPHX2FFAR1HDAC2HDAC1
SCHEMBL22251662 0.86 TDP1 (0.71) FFAR1HDAC2TDP1MMP12ABCC4
SCHEMBL1938644 0.86 TDP1 (0.71) FFAR1HDAC2TDP1MMP12ABCC4

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 4 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 disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed