SCHEMBL11528318

SCHEMBL11528318

CCCCCCCC/C=C\CCCCCCCCONC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
EPHX2 P34913 5/20 0.51
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MBOAT4 Q96T53 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL11528327 1.00 FAAH (0.54) FAAHEPHX2CNR2CNR1SOAT2
SCHEMBL27711878 0.92 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL28694494 0.92 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
Carbamic Acid SCHEMBL789060 0.90 CYP3A4 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11528324 0.83 FAAH (0.55) FAAHEPHX2CNR2CNR1SOAT2
SCHEMBL19506881 0.82 ALDH1A1 (0.53) FAAHEPHX2CNR2CNR1SOAT2
SCHEMBL19506890 0.82 ALDH1A1 (0.53) FAAHEPHX2CNR2CNR1SOAT2
SCHEMBL4649681 0.81 CA12 (0.56) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL19506886 0.80 EPHX2 (0.54) FAAHEPHX2CNR2CNR1ALDH1A1
SCHEMBL7751024 0.79 FAAH (0.66) FAAHEPHX2CNR2CNR1

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
US-4160077-A Process of crosslinking unsaturated hydrocarbon polymers employing novel carbamates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 US disclosed