SCHEMBL6509554

SCHEMBL6509554

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3c(Cl)cccc3Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HPGD P15428 2/20 0.41
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 3/20 0.40
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
MEP1B Q16820 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PTGS2 P35354 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 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
SCHEMBL6516317 0.89 FFAR4 (0.39) HSP90AA1HPGDALDH1A1AKR1B1PTGDR2
SCHEMBL6511874 0.88 AKR1B1 (0.43) HSP90AA1HPGDALDH1A1AKR1B1PTGDR2
SCHEMBL6510768 0.87 ALDH1A1 (0.43) HSP90AA1HPGDALDH1A1THRATHRB
SCHEMBL6508797 0.87 ALDH1A1 (0.42) HSP90AA1HPGDALDH1A1PTGDR2THRA
SCHEMBL6509305 0.83 ALDH1A1 (0.38) HSP90AA1HPGDALDH1A1THRATHRB
SCHEMBL6509513 0.83 SLC6A9 (0.41) HPGDALDH1A1L3MBTL1MEP1BEGFR
SCHEMBL6510314 0.83 HPGD (0.40) HSP90AA1HPGDPRMT1AKR1B1PTGDR2
SCHEMBL6510665 0.82 MEP1B (0.39) HSP90AA1HPGDALDH1A1THRATHRB
SCHEMBL6515036 0.82 HPGD (0.41) HPGDPRMT1ALDH1A1L3MBTL1MEP1B
SCHEMBL6511963 0.81 MEP1B (0.47) MEP1B

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