SCHEMBL6548977

SCHEMBL6548977

O=C(O)/C=C/c1ccccc1CC(O)CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
ABCB1 P08183 4/20 0.46
LMNA P02545 4/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ATM Q13315 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6548980 1.00 PLK1 (0.47) PLK1MEN1KMT2AMAPTHSD17B10
SCHEMBL6548347 0.88 MAPT (0.49) PLK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6548344 0.88 MAPT (0.49) PLK1MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL6549127 0.83 HSD17B10 (0.44) PLK1MEN1KMT2AMAPTHSD17B10
SCHEMBL6153236 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1HPGDPOLB
SCHEMBL6153240 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1HPGDPOLB
SCHEMBL9157538 0.75 MAPT (0.52) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL9157528 0.75 MAPT (0.52) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL7673613 0.74 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7673620 0.74 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E

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-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