SCHEMBL8886804

SCHEMBL8886804

Cc1c(CBr)cc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.33
GRM2 Q14416 1/20 0.33
STAT5B P51692 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CFD P00746 1/20 0.30
HMGB1 P09429 1/20 0.30
CXCL12 P48061 1/20 0.30

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
SCHEMBL4958553 0.76 HMGB1 (0.41) CYP4F2CYP4A11CFDHMGB1CXCL12
SCHEMBL7385138 0.75 MRGPRX4 (0.42) STAT5BHMGB1
SCHEMBL24821303 0.74 GRM2 (0.39) AKT1GRM2CYP4F2CYP4A11
SCHEMBL4396244 0.73 GRM2 (0.41) AKT1GRM2
SCHEMBL29077699 0.72 GLS (0.41) AKT1STAT5B
SCHEMBL19153416 0.72 AKT1 (0.43) AKT1GRM2CYP4F2CYP4A11
SCHEMBL13234266 0.72 GRM2 (0.41) AKT1GRM2CYP4F2CYP4A11
SCHEMBL8635430 0.72 AKT1 (0.44) AKT1GRM2CYP4F2CYP4A11
SCHEMBL18173003 0.71 AKT1 (0.43) AKT1GRM2
SCHEMBL18047659 0.69 GRM2 (0.39) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599926-A PEPTIDE BONDING PROPERTIES MAKE IT USEFUL IN PURIFICATION PROCESSES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-02-04 US disclosed
US-5571911-A CYCLIC OLIGOPEPTIDES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-11-05 US disclosed
WO-1995020590-A1 ENANTIOSELECTIVE RECEPTORS FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-03 WO disclosed
US-5342934-A For resolution, purification THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-08-30 US disclosed
WO-1994000455-A1 ENANTIOSELECTIVE RECEPTOR FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-01-06 WO disclosed