SCHEMBL18249384

SCHEMBL18249384

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PLK1 P53350 1/20 0.38
THRB P10828 3/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL18256275 0.84 CYP4F2 (0.42) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL18249381 0.83 CYP4F2 (0.43) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL10804604 0.81 CYP4A11 (0.60) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL16556204 0.79 CYP4A11 (0.49) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL15233971 0.78 CYP4F2 (0.48) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL569634 0.78 CYP4A11 (0.57) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL18249434 0.78 CYP4A11 (0.40) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL18249406 0.76 TSHR (0.42) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL15233928 0.76 CYP4F2 (0.46) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL15234051 0.76 CYP4F2 (0.46) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1

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