SCHEMBL8773484

SCHEMBL8773484

O=C(O)N(Cc1ccccc1)CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
PKM P14618 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
AGER Q15109 3/20 0.49
MTNR1A P48039 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.48
PTGES O14684 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
EPHX2 P34913 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
SCHEMBL3372477 0.91 HDAC1 (0.58) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL25378735 0.86 HDAC1 (0.55) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL5722085 0.85 HDAC1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL5722086 0.85 HDAC1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL5030087 0.84 HDAC1 (0.52) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL2840174 0.84 MEN1 (0.50) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL2009587 0.84 GBA1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL1700511 0.84 MEN1 (0.50) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL393116 0.84 HDAC1 (0.52) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL3693309 0.82 KMT2A (0.52) HDAC1HDAC6PKMMEN1KMT2A

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