SCHEMBL8620659

SCHEMBL8620659

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCO

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 0.60
KMT2A Q03164 3/20 0.57
ALOX15 P16050 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 2/20 0.57
UGT1A1 P22309 1/20 0.57
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
ICMT O60725 1/20 0.50
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14249299 0.98 SQLE (0.57) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL8619405 0.85 KMT2A (0.61) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL8626304 0.84 KMT2A (0.55) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL8622485 0.79 KMT2A (0.59) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL1549562 0.78 SQLE (0.60) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL7942976 0.78 ALOX15 (0.78) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL7934879 0.78 ALOX15 (0.78) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL7785624 0.78 ALOX15 (0.78) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL15506005 0.78 ALOX15 (0.78) SQLEKMT2AALOX15MAPTMEN1
SCHEMBL7944396 0.78 ALOX15 (0.78) SQLEKMT2AALOX15MAPTMEN1

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 3 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