SCHEMBL11595258

SCHEMBL11595258

CC(=O)NCC(NC(C)=O)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 8/20 0.37
MTNR1B P49286 8/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
PAOX Q6QHF9 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4957302 0.77 MTNR1A (0.40) KDM4EMAPK1HIF1AMAPTTHRB
SCHEMBL24864285 0.75 KDM4E (0.45) KDM4EMAPK1HIF1AMAPTTHRB
SCHEMBL10401863 0.75 KDM4E (0.37) KDM4EMAPK1HIF1AMAPTTHRB
SCHEMBL13611402 0.73 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13411268 0.73 CA12 (0.39) KDM4EMAPK1HIF1AMAPTTHRB
Ammonia Solution, Strong SCHEMBL19410596 0.73 KDM4E (0.36) KDM4EMAPK1HIF1AMAPTTHRB
SCHEMBL23451094 0.73 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13611401 0.73 KDM4E (0.39) KDM4EMAPK1HIF1AMAPTTHRB
SCHEMBL7826230 0.72
SCHEMBL91326 0.72

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-4088500-A AMIDE-ENDCAPPED HYDROPHILIC ALKYLENE OXIDE PREPOLYMER, ACID ACTIVATED CROSSLINKING AGENT WATER, FILLER, CATALYST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-09 US disclosed