SCHEMBL8619861

SCHEMBL8619861

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.77
FNTB P49356 8/20 0.77
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
UGT1A1 P22309 1/20 0.52
TRPA1 O75762 1/20 0.51
SQLE Q14534 2/20 0.50

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
SCHEMBL11049165 1.00 FNTA (0.77) FNTAFNTBKMT2AKDM4EATM
SCHEMBL10669823 1.00 FNTA (0.77) FNTAFNTBKMT2AKDM4EATM
SCHEMBL11049186 1.00 FNTA (0.77) FNTAFNTBKMT2AKDM4EATM
SCHEMBL11619634 1.00 FNTA (0.77) FNTAFNTBKMT2AKDM4EATM
SCHEMBL1395164 0.98 FNTA (0.73) FNTAFNTBKMT2AKDM4EATM
SCHEMBL3959523 0.90 FNTA (0.68) FNTAFNTBKMT2AKDM4EATM
SCHEMBL3959518 0.90 FNTA (0.68) FNTAFNTBKMT2AKDM4EATM
SCHEMBL584890 0.89 FNTA (0.67) FNTAFNTBKMT2AKDM4EATM
SCHEMBL1716802 0.89 FNTA (0.67) FNTAFNTBKMT2AKDM4EATM
SCHEMBL584888 0.89 FNTA (0.67) FNTAFNTBKMT2AKDM4EATM

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