SCHEMBL6509203

SCHEMBL6509203

CCCCCc1cccc(CN(CCC(=O)O)Cc2cccc(CC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.43
DRD2 P14416 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
S1PR2 O95136 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KCNH2 Q12809 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL6509334 0.90 PPARA (0.46) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6510841 0.89 PPARA (0.48) PPARAPPARGS1PR1S1PR3S1PR2
SCHEMBL6508452 0.86 NPC1 (0.44) PPARAPPARGTHRATHRBBCHE
SCHEMBL6511885 0.84 POLB (0.47) PPARAPPARG
SCHEMBL6509240 0.84 PPARA (0.41) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6511867 0.83 HDAC3 (0.47) PPARAPPARG
SCHEMBL6511699 0.83 FFAR1 (0.43) PPARAPPARGS1PR1THRB
SCHEMBL6510672 0.83 RAB9A (0.42) PPARAPPARGS1PR1
SCHEMBL6511947 0.83 MTNR1A (0.47) PPARGBCHE
SCHEMBL6531857 0.82 PPARA (0.42) PPARAPPARGS1PR1S1PR3S1PR2

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