SCHEMBL6853568

SCHEMBL6853568

COCC(C)n1cnc(C(=O)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ADRB3 P13945 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HCAR3 P49019 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAP3K5 Q99683 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
TSHR P16473 2/20 0.31

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
SCHEMBL6854520 0.87 MAPT (0.38) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6857956 0.87 NOTUM (0.39) NOTUMADRB3TMEM97HRH3KMT2A
SCHEMBL12410700 0.82 NOTUM (0.46) NOTUMADRB3TMEM97HRH3KMT2A
SCHEMBL6853833 0.78 NOTUM (0.39) NOTUMADRB3TMEM97HRH3SMN1; SMN2
SCHEMBL6854964 0.78 NOTUM (0.40) NOTUMADRB3TMEM97HRH3KMT2A
SCHEMBL6855527 0.76 GAA (0.38) NOTUMADRB3TMEM97HRH3SMN1; SMN2
SCHEMBL7473914 0.75 KMT2A (0.39) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL24267919 0.74 MAPK1 (0.51) NOTUMMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL31728124 0.72 NOTUM (0.43) NOTUMADRB3TMEM97HRH3HCAR3
SCHEMBL11373208 0.71 HCAR3 (0.31) HRH3HCAR3MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed