SCHEMBL1702069

SCHEMBL1702069

CCCCCCCCCCCC(CCCCCCCCCC)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.55
ALDH1A1 P00352 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
KAT8 Q9H7Z6 3/20 0.44
PPARA Q07869 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
PPARG P37231 2/20 0.44
EP300 Q09472 2/20 0.44
KAT5 Q92993 2/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL591525 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL28491048 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL10823693 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL5177596 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL11699636 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL9718990 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL7007185 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL2045729 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL1702662 1.00 SLC37A4 (0.55) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID
SCHEMBL7521828 0.99 SLC37A4 (0.54) SLC37A4ALDH1A1CYSLTR2CYSLTR1BID

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-2588246-A1 PROCESS FOR PREPARING A THIXOTROPING AGENT AND USE THEREOF Construction Research & Technology GmbH (DE) 2013-05-08 EP disclosed
WO-2012000774-A1 PROCESS FOR PREPARING A THIXOTROPING AGENT AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-01-05 WO disclosed