SCHEMBL8773510

SCHEMBL8773510

CCCCCCCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.64
PKM P14618 2/20 0.58
LMNA P02545 1/20 0.54
KCNH2 Q12809 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA4 P22748 1/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50

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
SCHEMBL15546987 1.00 CNR2 (0.64) CNR2PKMLMNAKCNH2HDAC1
SCHEMBL1753870 0.93 HDAC6 (0.58) CNR2PKMLMNAHDAC1HDAC6
SCHEMBL21628078 0.91 REN (0.56) CNR2LMNAHDAC1
SCHEMBL28042133 0.90 CNR2 (0.61) CNR2PKMLMNAKCNH2HDAC1
SCHEMBL22023396 0.89 CNR2 (0.67) CNR2PKMHDAC1HDAC6CA12
SCHEMBL3418990 0.89 CNR2 (0.60) CNR2PKMLMNAKCNH2HDAC1
SCHEMBL3807639 0.89 HDAC1 (0.67) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL4351824 0.89 HDAC1 (0.67) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL2187595 0.88 CNR2 (0.59) CNR2PKMLMNAKCNH2HDAC1
SCHEMBL4001303 0.86 CNR2 (0.64) CNR2PKMKCNH2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511948-B1 Preparation of urethane and carbonate products MONSANTO CO (US) 1997-11-05 EP disclosed
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
EP-0556538-A1 Blocked tricarbamate compounds MONSANTO COMPANY (US) 1993-08-25 EP 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
EP-0511948-A2 Preparation of urethane and carbonate products MONSANTO COMPANY (US) 1992-11-04 EP disclosed