SCHEMBL8618406

SCHEMBL8618406

CC(C)=CCCCOc1ccc(CCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
PPARA Q07869 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
FFAR1 O14842 2/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8622803 0.86 HRH3 (0.41) ALDH1A1LMNAMEN1USP2CYP3A4
SCHEMBL18265469 0.84 LTA4H (0.53) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL9633457 0.81 CYP4A11 (0.44) LTA4HEPHX2ALDH1A1PPARACYP4A11
SCHEMBL28934486 0.81 LTA4H (0.65) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL8623162 0.81 LMNA (0.64) LMNAPPARAFFAR1L3MBTL1
SCHEMBL3027395 0.80 ALDH1A1 (0.69) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL4990243 0.79 LTA4H (0.62) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL4870501 0.79 LTA4H (0.62) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL23266201 0.79 LTA4H (0.47) LTA4HEPHX2ALDH1A1LMNAMEN1
SCHEMBL7216854 0.78 ALDH1A1 (0.62) LTA4HEPHX2ALDH1A1LMNAMEN1

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