SCHEMBL27438804

SCHEMBL27438804

CCCCCCCCCCCCC[C@@H](COS(C)(=O)=O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.49
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.39
PPARD Q03181 2/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
RECQL P46063 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL31272586 0.85 CA1 (0.47) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL1962748 0.85 CA1 (0.47) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL12955914 0.85 CA1 (0.47) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL8982625 0.85 CA1 (0.47) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL16415818 0.83 CA2 (0.46) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL27797254 0.83 KDM4E (0.31) LMNARECQLALDH1A1TSHR
SCHEMBL28069731 0.82 CYP3A4 (0.46) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL16759507 0.82 CYP3A4 (0.46) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL28272444 0.82 CYP3A4 (0.46) LMNARECQLPRSS1PRSS2PRSS3
SCHEMBL28142509 0.80 CYP3A4 (0.47) LMNARECQLPRSS1PRSS2PRSS3

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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed