SCHEMBL6533747

SCHEMBL6533747

CCCCSc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PLK1 P53350 3/20 0.35
HTT P42858 1/20 0.34
LTB4R Q15722 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6507755 0.92 MAPK1 (0.38) ATMALDH1A1HPGDL3MBTL1GAA
SCHEMBL6532562 0.90 THRB (0.38) ATMALDH1A1HPGDL3MBTL1GAA
SCHEMBL6515019 0.89 ALDH1A1 (0.44) ATMALDH1A1HPGDL3MBTL1THRB
SCHEMBL6509442 0.85 RAB9A (0.41) ALDH1A1RAB9APTGER1PTGER4PTGER3
SCHEMBL6510860 0.85 RAB9A (0.41) RAB9APTGER1PTGER4PTGER3PTGER2
SCHEMBL6533434 0.85 BCL2L1 (0.37) ATMALDH1A1MAPTTHRBHTT
SCHEMBL6510672 0.84 RAB9A (0.42) RAB9APTGER1PTGER4PTGER3PTGER2
SCHEMBL6512244 0.84 ALDH1A1 (0.42) ALDH1A1MAPTTHRBNPSR1
SCHEMBL6531857 0.83 PPARA (0.42) RAB9ATHRBPLK1
SCHEMBL6515073 0.82 PLA2G4B (0.47) THRB

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