SCHEMBL18249486

SCHEMBL18249486

CCCc1ccc(C(=O)OCC(C)N(C)C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
MAPT P10636 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL18249393 0.84 CYP4F2 (0.43) MAPTCA12CA1CA2ESR1
SCHEMBL18249399 0.80 MAPT (0.38) ACHEMAPTCA12CA1CA2
SCHEMBL18249381 0.79 CYP4F2 (0.43) MAPTCA12CA1CA2ESR1
SCHEMBL571227 0.79 CA1 (0.63) CA12CA1CA2ESR1CA7
SCHEMBL20164242 0.78 CYP4F2 (0.42) MAPTCA12CA1CA2ESR1
SCHEMBL20164227 0.76 ALDH1A1 (0.49) ACHEMAPTCA12CA1CA2
SCHEMBL18249428 0.76 TSHR (0.43) MAPTESR1ESR2RAB9AALDH1A1
SCHEMBL20164272 0.76 MAPT (0.38) MAPTCA12CA1CA2ESR1
SCHEMBL9487434 0.75 CYP4F2 (0.53) MAPTCA12CA1CA2ESR1
SCHEMBL17924096 0.74 TAS1R3 (0.43) MAPTESR1ESR2RAB9AALDH1A1

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 5 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
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