SCHEMBL6508797

SCHEMBL6508797

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3ccc(Cl)cc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR1 P21554 1/20 0.41
POLB P06746 4/20 0.40
HSP90AA1 P07900 2/20 0.40
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
PTGES O14684 1/20 0.39
PPM1G O15355 1/20 0.39
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM5A P29375 1/20 0.39
PPM1A P35813 1/20 0.39
PTPN9 P43378 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6511874 0.92 AKR1B1 (0.43) ALDH1A1KDM4EPOLBHSP90AA1KMT2A
SCHEMBL6510768 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHSP90AA1MEP1B
SCHEMBL6509305 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EHSP90AA1MEP1BPTGES
SCHEMBL6510665 0.89 MEP1B (0.39) ALDH1A1KDM4EHSP90AA1MEP1BKMT2A
SCHEMBL6509554 0.87 HSP90AA1 (0.42) ALDH1A1HSP90AA1MEP1BPTGESPTGDR2
SCHEMBL6509550 0.86 MEP1B (0.42) ALDH1A1MEP1AMEP1BPTGESCYP2C9
SCHEMBL6509513 0.85 SLC6A9 (0.41) ALDH1A1MEP1BMEN1KMT2AHPGD
SCHEMBL6511152 0.85 ALDH1A1 (0.45) ALDH1A1PTGESMEN1KMT2ACYP2C9
SCHEMBL6510314 0.85 HPGD (0.40) KDM4EHSP90AA1MEP1BPTGESPPM1G
SCHEMBL6516317 0.84 FFAR4 (0.39) ALDH1A1KDM4EHSP90AA1MEP1BPTGES

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