SCHEMBL8795641

SCHEMBL8795641

CCOC(=O)c1[nH]c2cc(Br)cc(Br)c2c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 5/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR17 Q13304 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8795113 0.81 MAP3K5 (0.48) MAPTPKMALOX15GPR17HPGD
SCHEMBL14738917 0.80 GPR17 (0.57) MAPTPKMGPR17HPGDALDH1A1
SCHEMBL11305237 0.80 ALDH1A1 (0.57) MAPTLMNAGPR17HPGDALDH1A1
SCHEMBL8795754 0.78 ALOX15 (0.61) MAPTPKMALOX15
SCHEMBL8794649 0.77 ALOX15 (0.47) MAPTALOX15LMNAL3MBTL1GPR17
SCHEMBL23206686 0.77 NR1H2 (0.53) MAPTPKMALOX15LMNAL3MBTL1
SCHEMBL11353862 0.76 MAPT (0.43) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL8794753 0.75 ALOX15 (0.57) ALOX15HPGDALDH1A1
SCHEMBL8794737 0.72 GPR17 (0.48) MAPTALOX15L3MBTL1GPR17HPGD
SCHEMBL24074581 0.70 ALDH1A1 (0.58) MAPTALOX15LMNAGPR17HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed