SCHEMBL7820909

SCHEMBL7820909

COc1ccccc1OCCCCCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 7/20 0.62
TDP1 Q9NUW8 2/20 0.62
HSD17B10 Q99714 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 6/20 0.53
HPGD P15428 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
PRSS1 P07477 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL3070239 0.98 L3MBTL1 (0.65) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL3066454 0.92 L3MBTL1 (0.61) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL30674530 0.92 L3MBTL1 (0.61) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL29742239 0.88 L3MBTL1 (0.77) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL15380425 0.88 KDM4E (0.50) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL30674616 0.86 L3MBTL1 (0.58) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL3528579 0.86 L3MBTL1 (0.58) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL7908108 0.84 SMN1; SMN2 (0.56) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL29742293 0.83 L3MBTL1 (0.70) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2
SCHEMBL14382275 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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