SCHEMBL4597927

SCHEMBL4597927

CN(C)C(=O)C(CNC(=O)OC(C)(C)C)c1ccc(Oc2ccc(C(=O)NO)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
LMNA P02545 1/20 0.37
SCN9A Q15858 3/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GABRA5 P31644 1/20 0.37
CTSA P10619 2/20 0.36

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
SCHEMBL4597914 0.80 GRN (0.48) GRNSORT1SCN9AOPRM1OPRD1
SCHEMBL14003081 0.80 GRN (0.48) GRNSORT1SCN9AOPRM1OPRD1
SCHEMBL4598537 0.76 GHSR (0.38) POLB
SCHEMBL4597275 0.76 MMP13 (0.37) OPRM1OPRD1HDAC3HDAC4HDAC1
SCHEMBL21628390 0.73 OPRM1 (0.48) GRNSORT1LMNAOPRM1OPRD1
SCHEMBL1932821 0.73 SYK (0.47)
SCHEMBL14003068 0.73 OPRM1 (0.48) GRNSORT1OPRM1OPRD1OPRK1
SCHEMBL21628402 0.72 HDAC6 (0.61) GRNSORT1OPRM1OPRD1OPRK1
SCHEMBL4597735 0.72 CA2 (0.36) LMNA
SCHEMBL4597564 0.72 MMP13 (0.36) OPRM1OPRD1HDAC3HDAC4HDAC1

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
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP disclosed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed