SCHEMBL2487217

SCHEMBL2487217

O=C(O)C(=O)CCCCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC13A3 Q8WWT9 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 2/20 0.38
CES2 O00748 5/20 0.38
CES1 P23141 5/20 0.38
HAO1 Q9UJM8 1/20 0.37
TSHR P16473 3/20 0.36

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
SCHEMBL10983580 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10978027 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10984852 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10980448 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10985970 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10979630 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10979886 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10982138 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10982069 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3
SCHEMBL10983212 0.97 OR51E2 (0.43) OR51E2MAPK1SLC13A3EGLN1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed