SCHEMBL12468774

SCHEMBL12468774

CCC(O)CCOC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
ALOX15 P16050 1/20 0.46
LMNA P02545 5/20 0.43
TSHR P16473 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP2C19 P33261 2/20 0.43
HTR1A P08908 1/20 0.43
CHRNA7 P36544 1/20 0.43
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 2/20 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
SCHEMBL587477 0.82 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL1054275 0.80 ALDH1A1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL587476 0.80 GPR84 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRM1
SCHEMBL27772786 0.80 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL28506903 0.79 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL26107013 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL26107015 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL23926209 0.78 MGAM (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21799364 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL22028560 0.78 ADRA2A (0.45) LMNATSHRKDM4ECYP3A4ADRA1A

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
WO-2012050263-A1 NOVEL METHOD OF PREPARING ENDOXIFEN CJ CHEILJEDANG CORP. (KR) 2012-04-19 WO disclosed