SCHEMBL6509240

SCHEMBL6509240

CCCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
LTB4R Q15722 2/20 0.41
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
S1PR2 O95136 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL6511525 0.97 LTB4R (0.40) PPARAPPARGLTB4RS1PR1DRD2
SCHEMBL6512710 0.87 ALDH1A1 (0.43) LTB4RS1PR1S1PR3S1PR2THRA
SCHEMBL6509334 0.87 PPARA (0.46) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6510841 0.85 PPARA (0.48) PPARAPPARGS1PR1S1PR3S1PR2
SCHEMBL6511514 0.85 OPRM1 (0.37) LTB4ROPRM1OPRD1OPRK1FFAR1
SCHEMBL6512010 0.84 LTB4R (0.42) LTB4RFFAR1
SCHEMBL6509203 0.84 PPARA (0.48) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6508452 0.83 NPC1 (0.44) PPARAPPARGLTB4RTHRATHRB
SCHEMBL6511885 0.81 POLB (0.47) PPARAPPARG
SCHEMBL6508460 0.81 HTR2C (0.36) LTB4RFFAR1

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