SCHEMBL4538927

SCHEMBL4538927

CC(C)=CC[C@@H]1CC=C(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
STAT3 P40763 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNA7 P36544 1/20 0.50
LMNA P02545 3/20 0.44
PTPN1 P18031 2/20 0.44
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.33
TAS2R46 P59540 4/20 0.33
TAS2R31 P59538 2/20 0.33
TAS2R10 Q9NYW0 2/20 0.33
GAA P10253 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL7114986 1.00 CYP3A4 (0.50) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL14690263 0.79 LMNA (0.40) CYP3A4ALOX15STAT3MEN1MAPK1
Methyl Alcohol SCHEMBL11303456 0.79 LMNA (0.44) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL6911654 0.78 LMNA (0.43) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL4406253 0.76 LMNA (0.48) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL521977 0.75
SCHEMBL2563770 0.74 LMNA (0.45) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL14527870 0.73 ALDH1A1 (0.50) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL10777628 0.73 ALDH1A1 (0.50) CYP3A4ALOX15STAT3MEN1MAPK1
SCHEMBL14527869 0.73 ALDH1A1 (0.50) CYP3A4ALOX15STAT3MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758601-B2 Removal of hydrocarbons from particulate solids US OIL SANDS INC. (CA) 2014-06-24 US disclosed
US-20130062258-A1 REMOVAL OF HYDROCARBONS FROM PARTICULATE SOLIDS US OILSANDS INC. (CA) 2013-03-14 US disclosed
WO-2012063198-A1 COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF ERECTILE DYSFUNCTION AND IMPOTENCE AND FOR IMPROVING SPORT PERFORMANCE MEDESTEA BIOTECH S.P.A. (IT) 2012-05-18 WO disclosed
US-20080169222-A1 Removel Of Hydrocarbons From Particulate Solids EARTH ENERGY RESOURCES INC. (CA) 2008-07-17 US disclosed