SCHEMBL6516580

SCHEMBL6516580

CCCCOc1cccc(CN(CCC(=O)O)Cc2cccc(C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.50
MEP1B Q16820 1/20 0.50
HPGD P15428 1/20 0.49
PLA2G4B P0C869 1/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H3 Q13133 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
ACHE P22303 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
SCHEMBL6509314 0.91 MEP1B (0.46) CYP2D6MEP1BHPGDPLA2G4BKCNH2
SCHEMBL6515110 0.89 HPGD (0.47) CYP2D6MEP1BHPGDKDM4EMAPK1
SCHEMBL6511186 0.85 HDAC3 (0.46) CYP2D6MEP1BPLA2G4BPPARGPPARA
SCHEMBL6515073 0.85 PLA2G4B (0.47) CYP2D6MEP1BPLA2G4BKCNH2NR1H3
SCHEMBL6512685 0.84 FFAR1 (0.43) MEP1BHPGDFFAR1
SCHEMBL6511831 0.84 FFAR1 (0.57) MEP1BFFAR1PPARGPPARA
SCHEMBL6511846 0.84 FFAR1 (0.44) MEP1BHPGDKDM4EMAPK1FFAR1
SCHEMBL6508452 0.83 NPC1 (0.44) LTB4RLTB4R2PPARGPPARA
SCHEMBL6515065 0.83 TSHR (0.55) FFAR1PPARGPPARA
SCHEMBL6515031 0.83 MEP1B (0.43) CYP2D6MEP1BPLA2G4BLTB4R2KCNH2

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