SCHEMBL6507755

SCHEMBL6507755

CCCCSc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PLK1 P53350 3/20 0.36
ATM Q13315 2/20 0.36
MEP1B Q16820 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL6533747 0.92 ATM (0.36) MAPK1ALDH1A1HPGDL3MBTL1THRB
SCHEMBL6532562 0.92 THRB (0.38) MAPK1ALDH1A1HPGDL3MBTL1THRB
SCHEMBL6515019 0.91 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDL3MBTL1THRB
SCHEMBL6512244 0.85 ALDH1A1 (0.42) ALDH1A1THRBMAPTNPSR1MEP1B
SCHEMBL6518329 0.84 NPC1 (0.39) MAPK1ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL6509250 0.84 CSF1R (0.39) PTGER1PTGER4PTGER3PTGER2
SCHEMBL6509314 0.83 MEP1B (0.46) HPGDMEP1B
SCHEMBL6533434 0.83 BCL2L1 (0.37) ALDH1A1THRBMAPTATMMEP1B
SCHEMBL6510202 0.79 NPC1 (0.41) ALDH1A1L3MBTL1MAPTGAATSHR
SCHEMBL6532417 0.79 ALDH1A1 (0.43) ALDH1A1HPGDTHRBPLK1

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