SCHEMBL4438996

SCHEMBL4438996

CCNCCCCCNC(=O)NCCCCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.57
EPHX1 P07099 6/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
SLC6A5 Q9Y345 2/20 0.44
PRMT1 Q99873 1/20 0.44
CYP1A2 P05177 2/20 0.43
CA12 O43570 1/20 0.43
F13A1 P00488 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL28419176 0.88 PAOX (0.61) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL1014742 0.86 PAOX (0.57) PAOXEPHX1GNAI3GNAO1GNAI1
SCHEMBL6287287 0.86 EPHX1 (0.61) PAOXEPHX1PRMT1CYP1A2CYP2C19
SCHEMBL7210075 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL12353013 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL15431680 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL7215969 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL7209810 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL21695693 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3
SCHEMBL7215247 0.85 PAOX (0.67) PAOXEPHX1MAOAMAOBGNAI3

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-8173718-B2 Resilient, water dispersible polyurethane foams and products incorporating same GEORGIA-PACIFIC CONSUMER PRODUCTS LP (US) 2012-05-08 US disclosed
US-20090075030-A1 Resilient, Water Dispersible Polyurethane Foams and Products Incorporating Same GEORGIA-PACIFIC CONSUMER PRODUCTS LP (US) 2009-03-19 US disclosed