SCHEMBL8010339

SCHEMBL8010339

COC(=O)CN(C)c1cccc(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
UNG P13051 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
SRC P12931 1/20 0.36
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL2654822 0.82 UNG (0.45) UNGALDH1A1TRIM24TRIM33NPC1
SCHEMBL28634016 0.81 CYP2A6 (0.48) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22400033 0.80 HSD17B1 (0.43) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3912957 0.79 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL29173926 0.79 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3448675 0.79 ALDH1A1 (0.47) MTNR1AMTNR1BALDH1A1POLBSMN1; SMN2
SCHEMBL5345206 0.77 POLB (0.44) ALDH1A1POLB
SCHEMBL8009743 0.77 PPARG (0.42) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16980504 0.77 MAPT (0.43) MTNR1AMTNR1BALDH1A1TDP1HPGD
SCHEMBL9100365 0.76 ALDH3A1 (0.46) UNGALDH1A1TDP1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed