SCHEMBL6507818

SCHEMBL6507818

CCCCc1cccc(CN(CCC(=O)O)Cc2c(F)ccc(C)c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
HTT P42858 1/20 0.36
BCHE P06276 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MEP1B Q16820 1/20 0.35

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
SCHEMBL6511871 0.97 PPARA (0.39) KDM4EPPARGPPARAS1PR1
SCHEMBL6516568 0.96 PPARA (0.41) PPARGPPARAS1PR1
SCHEMBL6515374 0.89 ALDH1A1 (0.41) S1PR1
SCHEMBL6508931 0.87 CSF3R (0.39) KDM4EHTTMEN1KMT2AMEP1B
SCHEMBL6527447 0.86 S1PR1 (0.43) S1PR1
SCHEMBL6515031 0.86 MEP1B (0.43) MEP1B
SCHEMBL6533434 0.85 BCL2L1 (0.37) KDM4EHTTMEN1MAPTKMT2A
SCHEMBL6510860 0.83 RAB9A (0.41) PPARGPPARAHTTBCHE
SCHEMBL6511147 0.82 TSHR (0.47) PPARGPPARA
SCHEMBL6511749 0.82 HTT (0.38) KDM4EHTTMEN1MAPTKMT2A

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