SCHEMBL6866096

SCHEMBL6866096

CC(C)(C)OC(=O)N1C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C[C@@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.44
YAP1 P46937 3/20 0.43
TP53 P04637 1/20 0.42
PRMT5 O14744 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 3/20 0.40
GHSR Q92847 3/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL8229952 0.86 YAP1 (0.40) MMP13YAP1TP53PRMT5GHSR
SCHEMBL6861570 0.86 YAP1 (0.40) MMP13YAP1TP53PRMT5GHSR
SCHEMBL6861568 0.80 YAP1 (0.41) MMP13YAP1TP53PRMT5MEN1
SCHEMBL13701098 0.77 YAP1 (0.44) MMP13YAP1TP53PRMT5MAOB
SCHEMBL13701096 0.77 YAP1 (0.47) YAP1TP53PRMT5KDM4EMAOB
SCHEMBL13701121 0.77 YAP1 (0.43) MMP13YAP1TP53PRMT5GHSR
SCHEMBL5887627 0.75 YAP1 (0.44) YAP1PRMT5MEN1KMT2AMAOB
SCHEMBL21877176 0.75 YAP1 (0.52) YAP1PRMT5MAOB
SCHEMBL22546600 0.75 MAOB (0.44) YAP1PRMT5MAOBGHSR
SCHEMBL16874776 0.74 YAP1 (0.54) YAP1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004578-B1 5-oxo-pyrrolidine-2-carboxylic acid hydroxamide derivatives PFIZER PROD INC (US) 2004-02-25 EP disclosed
US-6114361-A INHIBITORS OF MATRIX METALLOPROTEINASES AND REPROLYSIN; ADMINISTERING TO TREAT CONDITIONS WHICH CAN BE TREATED BY THE INHIBITION OF THESE ENZYMES PFIZER INC. (US) 2000-09-05 US disclosed
EP-1004578-A2 5-oxo-pyrrolidine-2-carboxylic acid hydroxamide derivatives Pfizer Products Inc. (US) 2000-05-31 EP disclosed