SCHEMBL7809242

SCHEMBL7809242

COc1ccc(OCCCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.50
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
KCNH2 Q12809 2/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 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
SCHEMBL2381711 1.00 MAPT (0.51) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL15923031 1.00 MAPT (0.51) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL9689470 1.00 MAPT (0.51) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL7823783 0.98 MAPT (0.53) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL6752759 0.93 MAPT (0.46) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL4218226 0.91 DRD2 (0.52) MAPTL3MBTL1TDP1DRD3DRD2
SCHEMBL6750343 0.90 MAPT (0.47) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL14984020 0.89 MAPT (0.60) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL30514009 0.89 MAPT (0.60) MAPTL3MBTL1TDP1GAADRD3
SCHEMBL14095592 0.89 PRMT1 (0.54) L3MBTL1GAADRD3KCNH2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850666-A Trithiophene alkyl sulfonic acid polymer, and preparation method and application thereof 中国科学院化学研究所 2023-03-28 CN disclosed
EP-0842174-B1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PF MEDICAMENT (FR) 2001-10-04 EP disclosed
US-6011032-A Heterocyclic compounds for treating myocardial ischemia PIERRE FABRE MEDICAMENT (FR) 2000-01-04 US disclosed
EP-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed
EP-0680472-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-08 EP disclosed
WO-1995014673-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA S.P.A. (IT) 1995-06-01 WO disclosed