SCHEMBL6689381

SCHEMBL6689381

CCCCCCOc1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.56
EPHX1 P07099 3/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6697390 0.99 CA12 (0.56) FAAHEPHX1CA12CA1CA2
SCHEMBL6692679 0.96 CA12 (0.58) FAAHEPHX1CA12CA1CA2
SCHEMBL5386322 0.91 EPHX1 (0.67) FAAHEPHX1ALDH1A1HTT
SCHEMBL14593657 0.91 EPHX1 (0.67) FAAHEPHX1ALDH1A1HTT
SCHEMBL14593705 0.91 EPHX1 (0.67) FAAHEPHX1ALDH1A1HTT
SCHEMBL14593707 0.88 EPHX1 (0.67) FAAHEPHX1CA12CA1CA2
SCHEMBL6696313 0.85 MAPT (0.63) ALDH1A1GAA
SCHEMBL7214953 0.85 S1PR1 (0.57) FAAHEPHX1CA12CA1CA2
SCHEMBL14593753 0.84 EPHX1 (0.58) FAAHEPHX1ALDH1A1HTT
SCHEMBL14593665 0.82 KMT2A (0.70) EPHX1ALDH1A1HTT

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-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed