SCHEMBL8773482

SCHEMBL8773482

CC(C)(C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
HTT P42858 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 4/20 0.59
ALDH1A1 P00352 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TSHR P16473 1/20 0.52
RIPK1 Q13546 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
RECQL P46063 1/20 0.47

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
SCHEMBL12536455 0.88 MEN1 (0.65) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL7113805 0.85 LMNA (0.70) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5343307 0.84 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL186800 0.84 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL356816 0.84 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL18527956 0.84 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8906002 0.83 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15373060 0.83 MEN1 (0.59) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8904883 0.83 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL689321 0.83 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA

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