SCHEMBL9370545

SCHEMBL9370545

CCCCC(c1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR2 P34972 2/20 0.46
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL4906707 0.79 MEN1 (0.46) MEN1KMT2ACNR2LMNAPOLB
SCHEMBL21900304 0.78 MEN1 (0.45) MEN1KMT2ACNR2LMNAPOLB
SCHEMBL4907365 0.78 MEN1 (0.45) MEN1KMT2ACNR2LMNAPOLB
SCHEMBL17063484 0.77 CTSK (0.50) CTSK
SCHEMBL15670471 0.77 MEN1 (0.48) MEN1KMT2ACNR2LMNAPOLB
SCHEMBL17844785 0.76 POLB (0.51) MEN1KMT2ACNR2LMNAPOLB
SCHEMBL5080919 0.75 MEN1 (0.45) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1954945 0.75 ALOX5 (0.47) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL5080915 0.75 MEN1 (0.45) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL17183774 0.74 POLB (0.41) MEN1KMT2ACNR2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371183-A Reacting diamine or polyamine with carbon dioxide in solvent in presence of sterically hindered amidine or guanidine to form salt, reacting with hydrocarbyl dihalide or polyhalide in polar aprotic solvent, polymerizing product MONSANTO COMPANY (US) 1994-12-06 US disclosed
US-5349048-A Reaction of carbon dioxide with alcohol to form salt in solvent and reacting with hydrocarbyl halide MONSANTO COMPANY (US) 1994-09-20 US disclosed
US-5344934-A Reaction of carbon dioxide and amine in aprotic solvents MONSANTO COMPANY (US) 1994-09-06 US disclosed
US-5260473-A Reaction of alcohol and carbon dioxide in aprotic solvent and strong amidine or guanidine base MONSANTO COMPANY (US) 1993-11-09 US disclosed
US-5223638-A Reacting primary or secondary amine with carbon dioxide in presence of strong amidine or guanidine base to form ammonium carbamate salt, reacting in polar aprotic solvent with primary or secondary hydrocarbyl halide MONSANTO COMPANY (US) 1993-06-29 US disclosed