SCHEMBL20164211

SCHEMBL20164211

CCOC(=O)N(CC)C(C)CC(C)OC(=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
SLC6A2 P23975 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
ITGA5 P08648 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL18249396 0.89 LMNA (0.49) ELANELMNATP53ALDH1A1MEN1
SCHEMBL18249462 0.88 ELANE (0.40) ELANELMNATP53CHRM2CHRM4
SCHEMBL20164234 0.86 USP2 (0.44) TP53ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL20164232 0.86 LMNA (0.45) LMNATP53ALDH1A1HRH1KCNH2
SCHEMBL15233921 0.81 ELANE (0.44) ELANELMNATP53CHRM2CHRM4
SCHEMBL1072030 0.80 HPGD (0.50) CHRM2CHRM4CHRM1CHRM3HPGD
SCHEMBL30395772 0.80 HPGD (0.50) CHRM2CHRM4CHRM1CHRM3HPGD
SCHEMBL18249470 0.78 ALDH1A1 (0.50) ELANELMNATP53CHRM2CHRM4
SCHEMBL18249403 0.78 TSHR (0.42) LMNATP53CHRM2CHRM4CHRM1
SCHEMBL18249401 0.77 HPGD (0.47) ELANELMNATP53CHRM2CHRM4

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
US-10221256-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-03-05 US disclosed
US-20180142044-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 US disclosed