SCHEMBL11039441

SCHEMBL11039441

O=[C]/C=C/c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.56
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.46
SLC6A19 Q695T7 1/20 0.45
BACE1 P56817 1/20 0.45
HSD11B1 P28845 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
RELA Q04206 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CISD1 Q9NZ45 2/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8547097 1.00 HSD17B3 (0.56) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL709614 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL8900441 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL699462 0.80 HSD17B3 (0.65) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL31171234 0.80 ENPP2 (0.56) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL11174939 0.80 ENPP2 (0.56) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL11174940 0.80 ENPP2 (0.56) HSD17B3ALDH1A1PKMSLC6A19BACE1
SCHEMBL11047401 0.79 APP (0.33) HSD17B3ALDH1A1
SCHEMBL11047398 0.79 APP (0.33) HSD17B3ALDH1A1
SCHEMBL11464066 0.76 HSD17B3 (0.61) HSD17B3ALDH1A1PKMSLC6A19BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4401827-A CARDIOTONIC AND ANTILIPEMIC AGENTS; BLOOD DISORDERS SIGMA-TAU (IT) 1983-08-30 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed