SCHEMBL7733971

SCHEMBL7733971

COc1ccc(-c2nc3cc(Cl)cc(C#CCO)c3o2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 4/20 0.46
ALOX5 P09917 1/20 0.44
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
PTGS2 P35354 5/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL7737479 0.89 PDE4A (0.45)
SCHEMBL7734760 0.81 MAPT (0.42) MAPTHSD17B10MAPK1NPC1KDM4E
SCHEMBL7735271 0.81 MAOB (0.41) MAPTNPC1TP53THRBKDM4E
SCHEMBL7734797 0.77 NPC1 (0.46) MAPTMAPK1NPC1ALOX5TP53
SCHEMBL7734126 0.77 NPC1 (0.53) MAPTHSD17B10MAPK1NPC1ALOX5
SCHEMBL7734276 0.75 NPC1 (0.42) MAPTHSD17B10HTTNPC1TP53
SCHEMBL7735667 0.70 ALOX5 (0.73) NPC1ALOX5TP53THRBPTGS2
SCHEMBL6683448 0.69 HDAC3 (0.50) MAPTHTTNPC1ALOX5TP53
SCHEMBL7737540 0.68 MAPT (0.44) MAPTNPC1TP53KDM4EALDH1A1
SCHEMBL7734319 0.68 AKR1B1 (0.34) MAPTNPC1ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed