SCHEMBL9232803

SCHEMBL9232803

CCC(O)(O)OC(N)=O.NCCNCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
ALOX15 P16050 2/20 0.36
CA1 P00915 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
Trientine SCHEMBL9228036 0.98 CA12 (0.39) CA12CA6CA7CA9CA14
SCHEMBL3094397 0.84
SCHEMBL9229377 0.81 CA12 (0.40) CA12CA6CA7CA9CA14
Propionamide SCHEMBL8414758 0.71 CA12 (0.53) CA12CA6CA7CA9CA14
Acetamide SCHEMBL11164476 0.70 CA12 (0.59) CA12CA6CA7CA9CA14
Urea SCHEMBL1662263 0.70 CA12 (0.67) CA12CA6CA7CA9CA14
Trientine SCHEMBL8506396 0.69 CA12 (0.55) CA12CA6CA7CA9CA14
Carbamic Acid SCHEMBL10380516 0.67 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL9487188 0.67 CA12 (0.62) CA12CA6CA7CA9CA14
Acetone SCHEMBL27949420 0.67 CA12 (0.62) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680988-A2 Carbamate compounds and coating compositions comprising same CYTEC TECHNOLOGY CORP. (US) 1995-11-08 EP disclosed
US-4897435-A EPOXY-FREE; SHELF-LIFE AMERICAN CYANAMID COMPANY (US) 1990-01-30 US disclosed
EP-0152820-A2 Carbamate compounds, compositions and method of making the same CYTEC TECHNOLOGY CORP. (US) 1985-08-28 EP disclosed
US-4484994-A REACTING EPOXY RESIN WITH AMINES HAVING SECONDARY AMINE AND CARBAMATE GROUPS AMERICAN CYANAMID COMPANY (US) 1984-11-27 US disclosed