SCHEMBL6511525

SCHEMBL6511525

CCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
FFAR1 O14842 1/20 0.37
BCHE P06276 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 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
SCHEMBL6509240 0.97 PPARA (0.41) LTB4RPPARGPPARAFFAR1DRD2
SCHEMBL6512710 0.90 ALDH1A1 (0.43) LTB4RCASP3SENP8SENP7SENP6
SCHEMBL6508452 0.86 NPC1 (0.44) LTB4RPPARGPPARABCHEGRIN2D
SCHEMBL6511514 0.86 OPRM1 (0.37) LTB4RFFAR1OPRM1OPRD1OPRK1
SCHEMBL6512010 0.85 LTB4R (0.42) LTB4RFFAR1BCHEMEP1B
SCHEMBL6509334 0.83 PPARA (0.46) PPARGPPARADRD2OPRM1DRD3
SCHEMBL6510841 0.82 PPARA (0.48) PPARGPPARAS1PR1
SCHEMBL6509250 0.81 CSF1R (0.39) PPARGPPARABCHEGRIN2DGRIN3B
SCHEMBL6508460 0.81 HTR2C (0.36) LTB4RFFAR1MEP1B
SCHEMBL6515092 0.80 POLB (0.48)

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed