SCHEMBL8152293

SCHEMBL8152293

CNc1c(C)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
CYP2C9 P11712 4/20 0.46
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
CA1 P00915 2/20 0.42
HSPA5 P11021 2/20 0.42
HIF1A Q16665 3/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
GABRA1 P14867 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
SCHEMBL28131398 0.78 CYP2C9 (0.40) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL8167714 0.77 CYP2C9 (0.48) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL392804 0.76 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL30448978 0.76 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL7083042 0.76 CYP2C19 (0.51) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL31612404 0.76 CYP2C19 (0.51) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL21203054 0.73 CYP2C9 (0.48) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL15173818 0.73 CA2 (0.59) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL599369 0.72 CYP2C19 (0.47) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL784926 0.72 ALDH1A1 (0.35) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355650-A1 Low Microgel Surface Protection Film TREDEGAR FILM PRODUCTS CORPORATION 2016-12-08 US disclosed
EP-0942945-A4 FOAMED HIGH DENSITY POLYETHYLENE MOBIL OIL CORP (US) 2000-02-23 EP disclosed
EP-0942945-A1 FOAMED HIGH DENSITY POLYETHYLENE MOBIL OIL CORPORATION (US) 1999-09-22 EP disclosed
US-5916926-A TREATING HIGH DENSITY POLYETHYLENE WITH A PEROXIDE AND WITH AN ANTIOXIDANT TO FORM UNFOAMED POLYETHYLENE, MIXING THE UNFOAMED POLYETHYLENE WITH A BLOWING AGENT TO FOAM THE POLYETHYLENE WHICH EXHIBITS DENSITY REDUCTION MOBIL OIL CORPORATION (US) 1999-06-29 US disclosed
WO-1998024836-A1 FOAMED HIGH DENSITY POLYETHYLENE MOBIL OIL CORPORATION (US) 1998-06-11 WO disclosed
WO-1996033226-A1 INTRODUCTION OF LONG CHAIN BRANCHING INTO LINEAR POLYETHYLENES MOBIL OIL CORPORATION (US) 1996-10-24 WO disclosed
US-5530072-A MIXING UNCROSSLINKED LINEAR POLYMER, ANTIOXIDANTS, HIGH TEMPERATURE PEROXIDE IN INERT ATMOSPHERE AT FEED THROAT OF HEATED EXTRUDER MOBIL OIL CORPORATION (US) 1996-06-25 US disclosed