SCHEMBL574596

SCHEMBL574596

CCCCC[C@H](S)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.61
GPR84 Q9NQS5 7/20 0.56
FFAR1 O14842 1/20 0.56
MAPT P10636 1/20 0.54
LCK P06239 1/20 0.54
PPARD Q03181 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
ACE2 Q9BYF1 1/20 0.50
FOLH1 Q04609 1/20 0.50
GRIK1 P39086 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRIK2 Q13002 1/20 0.47
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL201575 1.00 RNPEP (0.61) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL945383 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL721965 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL1405337 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL202757 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL945888 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL2447919 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL1405568 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL201966 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK
SCHEMBL1405317 0.98 GPR84 (0.59) RNPEPGPR84FFAR1MAPTLCK

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
WO-2012017400-A1 SYNTHESIS OF ACYL-PANTETHEINE DERIVATIVES AND THE USE THEREOF IN THE SYNTHESIS OF ACYL-COENZYME A DERIVATIVES NORTH-WEST UNIVERSITY (ZA) 2012-02-09 WO disclosed