SCHEMBL9470744

SCHEMBL9470744

CCCCCCCCCCCCCCCCC=CN1C(=O)C=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.46
FAAH O00519 5/20 0.42
TK1 P04183 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
DUSP3 P51452 1/20 0.35
PTPN7 P35236 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
SCHEMBL5245936 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL2814262 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL5245940 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL2814738 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL2814265 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL2814737 0.78 MGLL (0.62) MGLLFAAHTK1TRPV1PTGS1
SCHEMBL9064630 0.77 MGLL (0.65) MGLLFAAHTK1TRPV1ALDH1A1
SCHEMBL9064636 0.77 MGLL (0.65) MGLLFAAHTK1TRPV1ALDH1A1
SCHEMBL28660875 0.74 NR1H2 (0.48) MGLLALDH1A1
SCHEMBL6077691 0.71 FAAH (0.58) MGLLFAAHTRPV1ALDH1A1TSHR

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-5221717-A CITRACONIMIDE (CO)POLYMERS AND CURING WITH ANIONIC CATALYST AKZO N.V. (NL) 1993-06-22 US disclosed