SCHEMBL5812685

SCHEMBL5812685

CCC(C)C(NC(C)=O)C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.38
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALOX15 P16050 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
SCHEMBL5812689 1.00 CNR1 (0.44) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL5810975 0.85 POLB (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL5810979 0.85 POLB (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL5812661 0.83 MEN1 (0.42) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL5812659 0.83 MEN1 (0.42) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL30272968 0.83 MEN1 (0.42) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL21488561 0.81 MEN1 (0.41) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL27758852 0.81 MEN1 (0.41) CNR1DAGLAMEN1KMT2ASMN1; SMN2
SCHEMBL16377062 0.81 ALDH1A1 (0.39) CNR1DAGLAALDH1A1POLBNOS3
SCHEMBL16377063 0.81 ALDH1A1 (0.39) CNR1DAGLAALDH1A1POLBNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed