SCHEMBL7876940

SCHEMBL7876940

C[C@H](NOC1(C=O)CCCCO1)[C@@H](CC1CCC(c2ccccc2)CC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
IDO1 P14902 1/20 0.33
CTSS P25774 1/20 0.32
SIGMAR1 Q99720 9/20 0.32
USP19 O94966 7/20 0.32

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
SCHEMBL7873415 0.78 SLC6A3 (0.36) IDO1CTSS
SCHEMBL7393950 0.69 SLC18A3 (0.34) IDO1CTSS
SCHEMBL7359462 0.69 IDO1 (0.42) IDO1SIGMAR1
SCHEMBL7876535 0.67 IDO1 (0.39) PSMB5PSMB2IDO1
SCHEMBL7429163 0.66 METAP2 (0.41) PSMB5PSMB2CTSS
SCHEMBL5762361 0.61 SLC18A3 (0.44) PSMB5PSMB2IDO1
SCHEMBL24663869 0.60 IDO1 (0.51) IDO1
SCHEMBL13008024 0.60 IDO1 (0.55) IDO1
SCHEMBL10197495 0.60 IDO1 (0.55) IDO1
SCHEMBL5762356 0.59 ALDH1A1 (0.44) IDO1

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed