SCHEMBL4096034

SCHEMBL4096034

CCCCNC(=O)OC#CC(I)C1NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
ACHE P22303 8/20 0.35
BCHE P06276 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.32
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL6151468 0.74 ACHE (0.49) ACHEBCHEMGLLEPHX1
SCHEMBL2829248 0.65 ACHE (0.55) ACHEBCHEMGLLEPHX1
SCHEMBL155558 0.64 ACHE (0.50) ACHEBCHEMGLLEPHX1
Hydantoin SCHEMBL632437 0.64 MGLL (0.38) ACHEBCHEMGLLEPHX1
SCHEMBL2185398 0.63 PRCP (0.48) EPHX1
SCHEMBL2185829 0.63 PRCP (0.48) EPHX1
SCHEMBL2184392 0.63 PRCP (0.48) EPHX1
SCHEMBL2185066 0.63 PRCP (0.48) EPHX1
SCHEMBL2185180 0.63 PRCP (0.48) EPHX1
SCHEMBL2185491 0.63 PRCP (0.48) EPHX1

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-20090098213-A1 PAIN RELIEF AND SOOTHING CREAM AND METHOD FOR MAKING SAME TRAN HUYNH D 2009-04-16 US disclosed