SCHEMBL9512092

SCHEMBL9512092

CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O.COc1cc(/C=C/C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 15/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CTSK P43235 1/20 0.44

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
SCHEMBL9508378 0.94 BCHE (0.50) BCHEACHE
SCHEMBL9508374 0.94 BCHE (0.50) BCHEACHE
SCHEMBL9509721 0.88 STAT3 (0.54) STAT3
SCHEMBL9509727 0.88 STAT3 (0.54) STAT3
SCHEMBL5489849 0.87 ACE (0.51)
SCHEMBL5489858 0.87 ACE (0.51)
SCHEMBL9509803 0.82 ACE (0.48) BCHEACHE
SCHEMBL9509798 0.82 ACE (0.48) BCHEACHE
SCHEMBL9551637 0.77 TSHR (0.55)
SCHEMBL9551636 0.77 TSHR (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316218-B1 L-PROLINE DERIVATIVES, THEIR PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF EKITA Investments N.V. (NA) 1993-09-15 EP claimed