SCHEMBL18249490

SCHEMBL18249490

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
FAAH O00519 5/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL18249392 0.84 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL31426915 0.74 FAAH (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL24439478 0.74 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CA12
SCHEMBL18249489 0.74 MMP1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4MMP1
SCHEMBL20164268 0.74 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18249445 0.73 UTS2R (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28158241 0.73 FAAH (0.58) MMP1MMP2MMP3MMP9MMP13
SCHEMBL995722 0.72 LMNA (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CA12
SCHEMBL18856239 0.72 FAAH (0.61) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18249406 0.71 TSHR (0.42)

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