SCHEMBL5300518

SCHEMBL5300518

Cc1nccnc1CCCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CXCR4 P61073 1/20 0.35
TGFBR1 P36897 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TBXAS1 P24557 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH1 P35367 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
LOX P28300 1/20 0.30
AOC3 Q16853 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
SCHEMBL5306179 0.85 CYP2D6 (0.32) POLBCYP2D6HRH1
SCHEMBL30803975 0.85 CYP2D6 (0.32) POLBCYP2D6HRH1
SCHEMBL293479 0.81 TDP1 (0.41) KDM4ETLR7POLBCYP2D6
SCHEMBL30665021 0.81 TDP1 (0.41) KDM4ETLR7POLBCYP2D6
SCHEMBL10836044 0.79 CYP2D6 (0.35) CYP2D6HRH1
SCHEMBL10496018 0.79 TDP1 (0.40) KDM4ETLR7TBXAS1
SCHEMBL293872 0.78 HRH3 (0.36) TGFBR1CA2POLBCYP2D6
Ethoxycarbonyl Group SCHEMBL27894069 0.77 CYP4F2 (0.31) CXCR4CYP4F2CYP4A11
SCHEMBL30901844 0.77 CYP2D6 (0.33) CYP2D6HRH1
SCHEMBL7356709 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US disclosed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO disclosed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US disclosed