SCHEMBL8625167

SCHEMBL8625167

CCCCc1ccccc1OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
PTPN1 P18031 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
BCHE P06276 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
DHFR P00374 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PDE4B Q07343 1/20 0.34
PPARA Q07869 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL7774653 0.95 THRA (0.42) HPGDPTPN1KDM4CBCHETHRA
SCHEMBL7233664 0.95 THRA (0.42) HPGDPTPN1KDM4CBCHETHRA
SCHEMBL6268506 0.92 HPGD (0.40) HPGDPTPN1KDM4CDHFRHRH3
SCHEMBL8158814 0.83 HPGD (0.40) HPGDPTPN1KDM4CTHRATHRB
SCHEMBL7774765 0.83 LIPG (0.46) HPGDTHRATHRBALOX5PTGS2
SCHEMBL8844895 0.82 NPY1R (0.44) PTPN1BCHEDHFRPDE4B
SCHEMBL2648241 0.80 KDM4C (0.38) HPGDPTPN1KDM4CDHFRHRH3
SCHEMBL27576942 0.80 KDM4C (0.38) HPGDPTPN1KDM4CDHFRPDE4B
SCHEMBL7241509 0.79 KMT2A (0.45) PTPN1
SCHEMBL30788461 0.79 KDM4C (0.41) PTPN1KDM4CDHFRHRH3PDE4B

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