SCHEMBL18033769

SCHEMBL18033769

O=C(NCC1CCCCCCCCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.58
GAA P10253 1/20 0.47
EPHX2 P34913 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
HSD11B1 P28845 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 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
SCHEMBL18516869 1.00 EPHX1 (0.58) EPHX1GAAEPHX2CTSLCTSB
SCHEMBL13893971 1.00 EPHX1 (0.58) EPHX1GAAEPHX2CTSLCTSB
SCHEMBL21658591 0.89 EPHX1 (0.43) EPHX1GAAKDM4ECKS1BSKP1
SCHEMBL13551016 0.89 EPHX1 (0.43) EPHX1GAAKDM4ECKS1BSKP1
SCHEMBL20027283 0.89 EPHX1 (0.43) EPHX1GAAKDM4ECKS1BSKP1
SCHEMBL14405076 0.86 EPHX1 (0.40) EPHX1GAAEPHX2CTSLCTSB
SCHEMBL18612811 0.85 EPHX1 (0.59) EPHX1GAAEPHX2CTSLCTSB
SCHEMBL22180961 0.85 NAAA (0.41) EPHX1MAPTKMT2A
SCHEMBL20801383 0.85 NAAA (0.41) EPHX1MAPTKMT2A
SCHEMBL20801393 0.83 NAMPT (0.39) EPHX1MAPTKMT2A

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
EP-2842565-B1 Antibody-mediated disruption of quorum sensing in bacteria SCRIPPS RESEARCH INST (US) 2016-08-24 EP disclosed