SCHEMBL6508922

SCHEMBL6508922

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(SC3CCCC3)c2)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
FFAR4 Q5NUL3 6/20 0.35
LTC4S Q16873 1/20 0.33
HTT P42858 1/20 0.32
MEP1B Q16820 2/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL6532728 0.85 ATM (0.39) ATMFFAR4HTTMEP1B
SCHEMBL6511749 0.85 HTT (0.38) FFAR4HTTMEP1BBCL2L1BAK1
SCHEMBL6516272 0.83 ATM (0.41) ATMFFAR4MEP1BALDH1A1L3MBTL1
SCHEMBL6509181 0.83 ALDH1A1 (0.39) FFAR4LTC4SHTTMEP1BHTR2A
SCHEMBL6511195 0.83 NPC1 (0.42) ATMFFAR4ALDH1A1L3MBTL1
SCHEMBL6513365 0.81 ENPP2 (0.39) FFAR4MEP1B
SCHEMBL6533434 0.81 BCL2L1 (0.37) ATMHTTMEP1BBCL2L1BAK1
SCHEMBL6531896 0.80 FFAR4 (0.48) FFAR4LTC4S
SCHEMBL6531593 0.80 FFAR4 (0.47) FFAR4
SCHEMBL6533581 0.79 POLB (0.38) ATMFFAR4MEP1BALDH1A1PKM

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