SCHEMBL4728641

SCHEMBL4728641

CCCCCCCCC/C=C/n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.47
FAAH O00519 4/20 0.37
TRPV1 Q8NER1 2/20 0.37
MGLL Q99685 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL27455116 1.00 TBXAS1 (0.47) TBXAS1FAAHTRPV1MGLLCYP3A4
SCHEMBL22390120 1.00 TBXAS1 (0.47) TBXAS1FAAHTRPV1MGLLCYP3A4
SCHEMBL28348419 1.00 TBXAS1 (0.47) TBXAS1FAAHTRPV1MGLLCYP3A4
SCHEMBL11490532 0.98 TBXAS1 (0.44) TBXAS1FAAHTRPV1MGLLCYP3A4
SCHEMBL15511360 0.93 TBXAS1 (0.42) TBXAS1CYP3A4CYP2D6
Succinic Acid SCHEMBL28915926 0.89 PPARG (0.50) TBXAS1FAAHCYP3A4
SCHEMBL4365358 0.77
SCHEMBL4326682 0.77
Nonane SCHEMBL27924832 0.77 TBXAS1 (0.52) TBXAS1CYP3A4CYP2D6
Octane SCHEMBL28016307 0.77 TBXAS1 (0.52) TBXAS1CYP3A4CYP2D6

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-2008027119-A1 EPOXY-BASED COMPOSITIONS HAVING IMPROVED IMPACT RESISTANCE HENKEL CORPORATION (US) 2008-03-06 WO disclosed