SCHEMBL18249489

SCHEMBL18249489

CCCC(CN(C)C(=O)OCC)OC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
PRKCA P17252 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL18249389 0.82 ALDH1A1 (0.36) PRKCACA12CA1CA2CA9
SCHEMBL12516496 0.78 ALDH1A1 (0.39) CA12CA1CA2CA9CHRNB2
SCHEMBL25199135 0.74 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18249490 0.74 CHRNB2 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18249444 0.71 UTS2R (0.46) PRKCA
SCHEMBL24439478 0.71 CHRNB2 (0.46) CA12CA1CA2CA9CHRNB2
SCHEMBL18249404 0.70 CYP4F2 (0.40) PRKCACA12CA1CA2CA9
SCHEMBL20164268 0.68 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL254845 0.68 CA12 (0.36) CA12CA1CA2CA9CHRNB2
SCHEMBL14763891 0.67 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13

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