SCHEMBL4090888

SCHEMBL4090888

CC(CCc1cccc(CCC(C)N=C=O)c1)N=C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.36
TAAR1 Q96RJ0 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TSHR P16473 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
AOC3 Q16853 1/20 0.34
PNMT P11086 1/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 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
SCHEMBL153435 0.88 GABRA1 (0.37) MEN1KMT2AACHETAAR1GABRA1
SCHEMBL215519 0.87 TSHR (0.45) MEN1KMT2ATSHROPRK1POLB
SCHEMBL11545579 0.83 MEN1 (0.48) MEN1KMT2AAOC3
SCHEMBL23121590 0.81 PNMT (0.43) ACHETAAR1TSHROPRK1PNMT
SCHEMBL635206 0.81 PNMT (0.43) ACHETAAR1TSHROPRK1PNMT
SCHEMBL11760662 0.76 CYP3A4 (0.52) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL25305851 0.75 HTT (0.54) MEN1KMT2ATAAR1AOC3POLB
SCHEMBL25306116 0.75 BCHE (0.56)
SCHEMBL27540165 0.73 CYP3A4 (0.41) GABRA1GABRB2
SCHEMBL9579004 0.72 OPRM1 (0.50) MEN1KMT2ATAAR1GABRA1GABRB2

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-7504459-B2 Methacrylate amide acetals in coatings E.I. DU PONT DE NEMOURS & COMPANY (US) 2009-03-17 US disclosed