SCHEMBL20164283

SCHEMBL20164283

CCCCOC(=O)N(C)C(C)CC(C)OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ESR1 P03372 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL20164257 0.88 USP2 (0.45) TSHRGAAUSP2ALOX15SMN1; SMN2
SCHEMBL18249403 0.87 TSHR (0.42) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL15233877 0.82 TSHR (0.49) TSHRGAAUSP2ALOX15LMNA
SCHEMBL18249487 0.81 TSHR (0.49) TSHRGAAUSP2ALOX15LMNA
SCHEMBL18249428 0.81 TSHR (0.43) TSHRLMNAESR1MAPK1SMN1; SMN2
SCHEMBL18256243 0.79 TSHR (0.41) TSHRGAAUSP2ALOX15LMNA
SCHEMBL15269465 0.77 TSHR (0.49) TSHRGAAUSP2ALOX15LMNA
SCHEMBL18249393 0.77 CYP4F2 (0.43) TSHRLMNACYP1A2ESR1SMN1; SMN2
SCHEMBL18249468 0.76 LMNA (0.42) TSHRGAALMNACYP1A2CYP2C19
SCHEMBL14690191 0.75 USP2 (0.60) TSHRGAAUSP2ALOX15LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298048-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-07-03 EP disclosed
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