SCHEMBL11295192

SCHEMBL11295192

O=C(O)CC(=O)CCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
HDAC1 Q13547 6/20 0.64
HDAC2 Q92769 3/20 0.64
ALOX5 P09917 2/20 0.64
HDAC3 O15379 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
MAPK1 P28482 1/20 0.60
ADRA1A P35348 1/20 0.60
HDAC4 P56524 1/20 0.60
SLC6A3 Q01959 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
KDM4A O75164 1/20 0.59
KDM5A P29375 1/20 0.59

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
SCHEMBL7239123 0.92 HDAC1 (0.70) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9404065 0.92 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL11588924 0.90 MAPT (0.68) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL28609434 0.88 MAPT (0.77) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL11137519 0.88 MAPT (0.77) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1508071 0.88 MAPT (0.77) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL4886613 0.86 MAPT (0.73) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9404058 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9403984 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9404056 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632452-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ProMetic BioSciences Inc. (CA) 2013-09-04 EP disclosed
WO-2012097428-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USES IN DIABETES PROMETIC BIOSCIENCES INC. (CA) 2012-07-26 WO disclosed
WO-2012097427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC BIOSCIENCES INC. (CA) 2012-07-26 WO disclosed