SCHEMBL7733868

SCHEMBL7733868

O=C(O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.46
RXRB P28702 6/20 0.46
NR4A2 P43354 2/20 0.46
C1R P00736 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RXRG P48443 3/20 0.42
ELANE P08246 1/20 0.41
FFAR1 O14842 3/20 0.41
MAPT P10636 3/20 0.41
IKBKB O14920 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 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
SCHEMBL7734118 0.90 HDAC3 (0.42) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7724412 0.86 NR4A2 (0.41) NR4A2C1RHDAC3HDAC1HDAC2
SCHEMBL7724920 0.83 NPC1 (0.42) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL8790421 0.83 MAPT (0.39) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL8790418 0.83 MAPT (0.39) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7724927 0.81 MTNR1A (0.44) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7733892 0.81 MAPT (0.40) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7735176 0.79 NPC1 (0.41) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7725109 0.78 MAPT (0.44) C1RHDAC3HDAC1HDAC2HDAC8
SCHEMBL7733878 0.74 RAB9A (0.43) RXRARXRBNR4A2RXRGFFAR1

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 4 patents. 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 disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed