SCHEMBL4450812

SCHEMBL4450812

CCCCCCc1cc2c(cc1SCCC(CC)C(=O)O)C(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CYSLTR2 Q9NS75 8/20 0.32
CYSLTR1 Q9Y271 8/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL4456865 0.83 CYSLTR2 (0.42) CYSLTR2CYSLTR1ALDH1A1LMNAPOLB
SCHEMBL13956429 0.82 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALDH1A1LMNAPOLB
SCHEMBL4460417 0.80 PPARG (0.39) CA2MAPK1PPARGPPARA
SCHEMBL4450816 0.78 ALDH1A1 (0.37) CYSLTR2CYSLTR1ALDH1A1LMNAPOLB
SCHEMBL4450814 0.78 BRD4 (0.48) CYSLTR2CYSLTR1ALDH1A1PPARGPPARA
SCHEMBL2305004 0.71 TYR (0.46) ALDH1A1LMNAPOLBHIF1ATDP1
SCHEMBL4460423 0.69 LTB4R (0.37) CYSLTR2CYSLTR1ALDH1A1LMNAPOLB
SCHEMBL4450025 0.69 TSHR (0.36) CA2MAPK1PPARGPPARA
SCHEMBL2301656 0.69 HSD17B1 (0.37) TDP1HSD17B1
SCHEMBL13956465 0.68 TSHR (0.56) ALDH1A1PPARGPPARAHSD17B1

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
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed