SCHEMBL1849669

SCHEMBL1849669

CN(C)NC(CC(=O)O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.50
CPB1 P15086 1/20 0.50
CPA3 P15088 1/20 0.50
CPB2 Q96IY4 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LTA4H P09960 2/20 0.47
MME P08473 3/20 0.46
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL20272616 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2NPC1
SCHEMBL4302711 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2NPC1
SCHEMBL7506620 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2NPC1
SCHEMBL17047330 0.79 CPA1 (0.56) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL14392787 0.78 CTRB1 (0.57) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL15096364 0.78 SIGMAR1 (0.53) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL27781785 0.78 CTRB1 (0.57) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL3771987 0.78 CTRB1 (0.57) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL13851586 0.78 CPA1 (0.51) CPA1CPB1CPA3CPB2NPC1
SCHEMBL1704898 0.77 CPA1 (0.50) CPA1CPB1CPA3CPB2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247573-B1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS JSC (LV) 2011-05-25 EP disclosed
EP-2247573-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION Grindeks, a joint stock company (LV) 2010-11-10 EP disclosed
WO-2009103772-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-08-27 WO disclosed