SCHEMBL248342

SCHEMBL248342

CC(C)Cc1ccc(CC(C)C)c(CC(C)C)c1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31
ADRB3 P13945 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL276132 0.86 GABRA1 (0.52) GABRA1GABRB2ELANECTSGHTR2B
SCHEMBL2743774 0.83 GABRA1 (0.62) GABRA1GABRB2ELANECTSGHSD17B10
SCHEMBL29079425 0.83 GABRA1 (0.61) GABRA1GABRB2ELANECTSGPTGS1
SCHEMBL29582838 0.81 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL9251033 0.79 GABRA1 (0.41) GABRA1GABRB2ELANECTSGPTGS1
SCHEMBL4659387 0.79 ELANE (0.35) GABRA1GABRB2ELANECTSGGAA
SCHEMBL11137163 0.79 GABRA1 (0.34) GABRA1GABRB2L3MBTL1GAA
SCHEMBL6254407 0.79 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL17698052 0.78 FBP1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
Sulfuric Acid SCHEMBL9579664 0.78 GABRA1 (0.44) GABRA1GABRB2ELANECTSGHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120000117-A1 DUAL FUNCTION FUEL ATOMIZING AND IGNITION ADDITIVES AFTON CHEMICAL CORPORATION (US) 2012-01-05 US disclosed
US-20090107555-A1 Dual Function Fuel Atomizing and Ignition Additives AFTON CHEMICAL CORPORATION 2009-04-30 US disclosed