SCHEMBL7654478

SCHEMBL7654478

CCOC(=O)CN(CCNc1ccc(C#N)cc1)CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
RORC P51449 5/20 0.39
GAA P10253 1/20 0.39
MGLL Q99685 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCRTR2 O43614 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB5 P28074 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7374817 0.95 MCHR1 (0.39) MCHR1POLBMAPTALDH1A1RORC
SCHEMBL7442192 0.80 TOP2A (0.51) POLBMAPTALDH1A1GAAMGLL
SCHEMBL16166309 0.79 POLB (0.57) POLBMAPTALDH1A1GAACA12
SCHEMBL9512868 0.74 HCRTR2 (0.48) MAPTALDH1A1RORCHCRTR2CA12
SCHEMBL2204055 0.72 RORC (0.47) POLBRORC
SCHEMBL20322980 0.72 HCRTR2 (0.47) MAPTALDH1A1RORCHCRTR2CA12
SCHEMBL842138 0.72 TSHR (0.64) POLBMAPTALDH1A1RORCGAA
SCHEMBL4833044 0.72 SMN1; SMN2 (0.50) POLBMAPTALDH1A1GAAMGLL
SCHEMBL15717912 0.71 EGLN2 (0.52) ALDH1A1GAACA1CA2KDM4E
Hydrochloric Acid SCHEMBL4833038 0.71 SMN1; SMN2 (0.49) POLBMAPTALDH1A1GAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed
US-6335337-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-01-01 US disclosed