SCHEMBL6234057

SCHEMBL6234057

CCCCC(C(=O)O)C(C)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
CA1 P00915 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 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
SCHEMBL13734572 0.93 ALDH1A1 (0.48) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL21082799 0.93 ALDH1A1 (0.48) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL13733268 0.93 ALDH1A1 (0.48) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL2581248 0.84 CA2 (0.43) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL8421695 0.82 CA2 (0.50) CA2MAPK1ALDH1A1PKMSLC1A2
SCHEMBL2349679 0.80 CA2 (0.54) CA2MAPK1ALDH1A1PKMSLC1A2
SCHEMBL5351411 0.80 TDP1 (0.34) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL8423503 0.80 CA2 (0.48) CA2MAPK1ALDH1A1PKMSLC1A2
SCHEMBL19569931 0.80 ACE2 (0.44) CA2MAPK1ALDH1A1SLC1A2SLC1A1
SCHEMBL96140 0.79 ACE2 (0.32) SLC1A2SLC1A1SLC1A3ACE2

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
EP-1529066-A1 AID AND METHOD FOR PROCESSING THERMOPLASTIC COMPOSITIONS Baerlocher GmbH (DE) 2005-05-11 EP disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2004022606-A1 AID AND METHOD FOR PROCESSING THERMOPLASTIC COMPOSITIONS BAERLOCHER GMBH (DE) 2004-03-18 WO disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed