SCHEMBL6533434

SCHEMBL6533434

CCCCSc1cccc(CN(CCC(=O)O)Cc2c(F)ccc(C)c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 5/20 0.37
BAK1 Q16611 5/20 0.37
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 2/20 0.33
PLA2G2A P14555 1/20 0.33
MEP1B Q16820 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL6507818 0.85 KDM4E (0.38) KDM4EHTTMEP1BMEN1KMT2A
SCHEMBL6511749 0.85 HTT (0.38) BCL2L1BAK1ALDH1A1KDM4EHTT
SCHEMBL6533747 0.85 ATM (0.36) ALDH1A1THRBHTTATMMEN1
SCHEMBL6511871 0.85 PPARA (0.39) KDM4ETHRB
SCHEMBL6515031 0.84 MEP1B (0.43) MEP1BHCRTR2
SCHEMBL6516568 0.84 PPARA (0.41) THRB
SCHEMBL6515019 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ETHRBATMMEP1B
SCHEMBL6507755 0.83 MAPK1 (0.38) ALDH1A1THRBATMMEP1BMEN1
SCHEMBL6512244 0.82 ALDH1A1 (0.42) BCL2L1BAK1ALDH1A1THRBPLA2G2A
SCHEMBL6508922 0.81 ATM (0.35) BCL2L1BAK1ALDH1A1KDM4EHTT

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