SCHEMBL7743920

SCHEMBL7743920

CC(=O)c1ccc(CCCCCCCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
THRA P10827 8/20 0.58
THRB P10828 8/20 0.58
KMT2A Q03164 3/20 0.55
RARB P10826 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL30831068 1.00 HSD17B10 (0.62) HSD17B10THRATHRBKMT2ARARB
SCHEMBL9258997 0.98 HSD17B10 (0.65) HSD17B10THRATHRBKMT2ARARB
SCHEMBL2763138 0.94 HSD17B10 (0.65) HSD17B10THRATHRBKMT2ARARB
SCHEMBL17457887 0.90 HSD17B10 (0.74) HSD17B10THRATHRBKMT2ARARB
SCHEMBL253937 0.86 KMT2A (0.61) HSD17B10THRATHRBKMT2AMEN1
SCHEMBL11424105 0.86 HSD17B10 (0.74) HSD17B10THRATHRBKMT2ARARB
SCHEMBL4185050 0.85 THRA (0.70) HSD17B10THRATHRBKMT2ARARB
SCHEMBL8383207 0.85 THRA (0.70) HSD17B10THRATHRBKMT2ARARB
SCHEMBL8558008 0.85 LMNA (0.69) HSD17B10KMT2ARARBMEN1ALDH1A1
SCHEMBL965858 0.85 THRA (0.70) HSD17B10THRATHRBKMT2ARARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed