SCHEMBL3835797

SCHEMBL3835797

O=C(O)CCCCCCC(Cc1ccccc1)(CC(CCCCCCC(=O)O)(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.42
KEAP1 Q14145 1/20 0.42
ARG1 P05089 1/20 0.41

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
SCHEMBL4477456 0.94 MAPT (0.56) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL9191113 0.94 MAPT (0.56) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL31303729 0.94 MAPT (0.56) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL27784180 0.88 MAPT (0.50) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL675542 0.87 SMN1; SMN2 (0.53) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL8747296 0.87 MAPT (0.49) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL1034999 0.84 MAPT (0.45) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL11128523 0.84 MAPT (0.45) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL11128103 0.84 MAPT (0.45) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL11032243 0.83 MAPT (0.69) MAPTRXFP1HDAC3HDAC4HDAC1

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
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP claimed