SCHEMBL6827765

SCHEMBL6827765

NC(=O)N(C(N)=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.45
EPHX1 P07099 6/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ADH1A P07327 5/20 0.37
FDPS P14324 1/20 0.37
ADH1C P00326 3/20 0.36
PHGDH O43175 1/20 0.34
HSD11B1 P28845 1/20 0.34
ADH4 P08319 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22729195 0.97 ALOX5 (0.43) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL1957147 0.88 ALOX5 (0.41) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL3069635 0.86 ALOX5 (0.39) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL28496043 0.86 ALOX5 (0.39) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL6235316 0.84 ALOX5 (0.38) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL3083216 0.84 CES2 (0.41) ALOX5EPHX1CES2CES1HSD11B1
SCHEMBL7404178 0.83 EPHX1 (0.38) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL7404175 0.83 EPHX1 (0.38) ALOX5EPHX1CES2CES1ADH1A
SCHEMBL6242109 0.81 ALOX5 (0.36) ALOX5EPHX1ADH1AADH1CHSD11B1
SCHEMBL2754 0.79 ALOX5 (0.45) ALOX5EPHX1CES2CES1ADH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed