SCHEMBL8621737

SCHEMBL8621737

CC(C)=CCCC(C)=CCCCI

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
ALDH1A1 P00352 1/20 0.59
UGT1A1 P22309 1/20 0.59
SQLE Q14534 6/20 0.59
KDM4E B2RXH2 1/20 0.53
FNTA P49354 1/20 0.50
FNTB P49356 1/20 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
SCHEMBL8621731 1.00 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623413 1.00 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623417 1.00 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9128197 1.00 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8618551 0.94 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9129115 0.94 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8618554 0.94 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9129108 0.94 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8624351 0.92 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8620673 0.92 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15

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 12 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
WO-1996019484-A1 NOVEL CARBOXAMIDE-DERIVED PHOSPHONATES, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PHOSPHONATES PIERRE FABRE MEDICAMENT (FR) 1996-06-27 WO 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
US-5428028-A Method for lowering cholesterol employing a phosphonomethylphosphinate squalene synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1995-06-27 US disclosed
EP-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
US-5312814-A Antilipemic agents or anticholesterol agents BRISTOL-MYERS SQUIBB CO. (US) 1994-05-17 US disclosed
EP-0589473-A1 Hydroxyphosphinyl phosphonate squalene synthetase inhibitors and their use in pharmaceutical compositions E.R. SQUIBB & SONS, INC. (US) 1994-03-30 EP disclosed
US-5254544-A Anticholesterol E. R. SQUIBB & SONS, INC. (US) 1993-10-19 US disclosed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
EP-0514124-A2 Use of phosphonomethylphosphinate squalene synthetase inhibitors for the manufacture of a medicament for the lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed