SCHEMBL6548347

SCHEMBL6548347

O=C(O)C=Cc1ccccc1CC(O)CN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCB1 P08183 3/20 0.47
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TLR9 Q9NR96 1/20 0.45
TNNI3 P19429 1/20 0.45
MAPK1 P28482 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
PLK1 P53350 3/20 0.45

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
SCHEMBL6548344 1.00 MAPT (0.49) MAPTKMT2ATP53NPSR1ABCB1
SCHEMBL6548980 0.88 PLK1 (0.47) MAPTKMT2AABCB1MEN1ALDH1A1
SCHEMBL6548977 0.88 PLK1 (0.47) MAPTKMT2AABCB1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6548906 0.81 KMT2A (0.41) MAPTKMT2ATP53NPSR1ABCB1
SCHEMBL9329328 0.78 CYP2D6 (0.45) KMT2AABCB1MEN1ALDH1A1LMNA
SCHEMBL7676826 0.77 HRH1 (0.48) KMT2AMEN1ALDH1A1PTGER4PTGER3
SCHEMBL7676821 0.77 HRH1 (0.48) KMT2AMEN1ALDH1A1PTGER4PTGER3
SCHEMBL12202762 0.75 ABCB1 (0.47) KMT2AABCB1MEN1ALDH1A1MAPK1
SCHEMBL6550118 0.75 GAA (0.50) MAPTKMT2ATP53NPSR1MEN1
SCHEMBL6550112 0.75 GAA (0.50) MAPTKMT2ATP53NPSR1MEN1

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
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP claimed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US claimed
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed