SCHEMBL6861570

SCHEMBL6861570

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.40
MMP13 P45452 1/20 0.39
PRMT5 O14744 4/20 0.39
TP53 P04637 1/20 0.38
LTA4H P09960 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GHSR Q92847 3/20 0.37
MCL1 Q07820 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 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
SCHEMBL8229952 1.00 YAP1 (0.40) YAP1MMP13PRMT5TP53LTA4H
SCHEMBL6866096 0.86 MMP13 (0.44) YAP1MMP13PRMT5TP53GHSR
SCHEMBL6418068 0.80 KLK7 (0.43)
SCHEMBL6418070 0.80 KLK7 (0.43)
SCHEMBL8222384 0.79 PRMT5 (0.43) YAP1PRMT5LTA4HGHSRMCL1
SCHEMBL6861270 0.79 PRMT5 (0.43) YAP1PRMT5LTA4HGHSRMCL1
SCHEMBL29679804 0.76 TOP2A (0.37)
SCHEMBL24537587 0.76 TOP2A (0.37)
SCHEMBL6861568 0.74 YAP1 (0.41) YAP1MMP13PRMT5TP53LTA4H
SCHEMBL13613732 0.74 TOP2A (0.34)

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