SCHEMBL27504237

SCHEMBL27504237

CCCCN1C(=O)C=C(Cl)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.47
FAAH O00519 4/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
CES1 P23141 2/20 0.37
CDC25A P30304 1/20 0.37
KAT2B Q92831 1/20 0.36
RECQL P46063 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 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
SCHEMBL11032942 0.92 MGLL (0.58) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL18867156 0.92 MGLL (0.58) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL18857363 0.92 MGLL (0.58) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL7761775 0.80 MGLL (0.47) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL20216186 0.79 ALDH1A1 (0.48) MGLLPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL19886759 0.78 MGLL (0.46) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL4852834 0.78 RGS4 (0.47) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL8439766 0.74 MGLL (0.55) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL3475268 0.74 BLM (0.46) MGLLFAAHPTGS1PTGS2SMN1; SMN2
SCHEMBL27987747 0.73 MEN1 (0.54) MGLLFAAHPTGS1PTGS2SMN1; SMN2

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
CN-1214067-A Triphenylborane-rosin amine adduct and use of same YOSHITAMI FINE CHEMICALS LTD (JP) 1999-04-14 CN disclosed