SCHEMBL9670428

SCHEMBL9670428

CN(C)CCOCc1ccc(COCCN(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.54
LYPLA2 O95372 1/20 0.54
HRH3 Q9Y5N1 5/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LTA4H P09960 2/20 0.44
USP2 O75604 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL13102975 0.92 LYPLA1 (0.49) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL8352890 0.89 LYPLA1 (0.58) LYPLA1LYPLA2LTA4HUSP2TAAR1
SCHEMBL881823 0.88 ALDH1A1 (0.54) LYPLA1LYPLA2HRH3KEAP1NFE2L2
Hydrochloric Acid SCHEMBL30678583 0.87 LYPLA1 (0.57) LYPLA1LYPLA2LTA4HUSP2TAAR1
SCHEMBL3114914 0.86 LYPLA1 (0.44) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL24942155 0.85 HRH3 (0.47) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL188151 0.85 LYPLA1 (0.44) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL3146045 0.85 HRH3 (0.46) LYPLA1LYPLA2HRH3LMNACHRM2
SCHEMBL8133937 0.84 ALDH1A1 (0.53) LYPLA1LYPLA2ALDH1A1
SCHEMBL4757062 0.82 LYPLA1 (0.42) LYPLA1LYPLA2HRH3KEAP1NFE2L2

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed
US-4323454-A CURED EPOXY RESIN, FILLER, HOLLOW FIBERS MONSANTO COMPANY (US) 1982-04-06 US disclosed
US-4323453-A EPOXY RESIN CURED WITH AN IMIDAZOLE, HOLLOW FIBERS MONSANTO COMPANY (US) 1982-04-06 US disclosed
US-4090988-A Polyurethane foam preparation using pyridine ether catalysts OLIN CORPORATION (US) 1978-05-23 US disclosed