SCHEMBL6515019

SCHEMBL6515019

CCCCSc1cccc(CN(CCC(=O)O)Cc2cccc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSB P07858 1/20 0.39
ATM Q13315 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
PLK1 P53350 3/20 0.36
MEP1B Q16820 1/20 0.36
THRB P10828 2/20 0.36

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 0.91 MAPK1 (0.38) ALDH1A1HPGDL3MBTL1ATMMEN1
SCHEMBL6512244 0.90 ALDH1A1 (0.42) ALDH1A1MEP1BTHRB
SCHEMBL6532562 0.89 THRB (0.38) ALDH1A1HPGDL3MBTL1ATMFFAR4
SCHEMBL6533747 0.89 ATM (0.36) ALDH1A1HPGDL3MBTL1ATMMEN1
SCHEMBL6533434 0.83 BCL2L1 (0.37) ALDH1A1ATMKDM4EMEN1KMT2A
SCHEMBL6508452 0.82 NPC1 (0.44) CTSBFFAR4THRB
SCHEMBL6510768 0.82 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1FFAR4LMNA
SCHEMBL6509334 0.81 PPARA (0.46) FFAR4THRB
SCHEMBL6516580 0.81 CYP2D6 (0.50) HPGDKDM4EMAPK1MEP1B
SCHEMBL6510841 0.81 PPARA (0.48) 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