SCHEMBL18249392

SCHEMBL18249392

CCOC(=O)N(C)CCCC(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
FAAH O00519 5/20 0.38
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 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
SCHEMBL18249490 0.84 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3FAAH
SCHEMBL18249445 0.76 UTS2R (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL995722 0.75 LMNA (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL23788250 0.75 ALDH1A1 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL24439478 0.74 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL9357923 0.74 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL7028935 0.73 CYP1A2 (0.48) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL28084282 0.73 TSHR (0.54) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL28084284 0.73 TSHR (0.54) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL10292049 0.73 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2

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-3298048-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-03-28 EP disclosed
WO-2016184884-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-11-24 WO disclosed