SCHEMBL6868570

SCHEMBL6868570

COc1ccc(C2=C[C@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PREP P48147 1/20 0.37
STAT3 P40763 1/20 0.37
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
STS P08842 1/20 0.35
MMP1 P03956 3/20 0.35
MMP3 P08254 3/20 0.35
MMP7 P09237 3/20 0.35
MMP9 P14780 3/20 0.35

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
SCHEMBL6861270 0.86 PRMT5 (0.43)
SCHEMBL8222384 0.86 PRMT5 (0.43)
SCHEMBL6861099 0.82 TOP2A (0.35) GPR119HPGDKMT2A
SCHEMBL2504329 0.71 TOP2A (0.34) HTTGPR119ALDH1A1KDM4E
SCHEMBL960356 0.71 TOP2A (0.34) HTTGPR119ALDH1A1KDM4E
SCHEMBL190828 0.71 TOP2A (0.34) HTTGPR119ALDH1A1KDM4E
SCHEMBL15320109 0.71 KDM1A (0.36) GPR119ALDH1A1BACE1CTSDCTSE
SCHEMBL15320108 0.71 KDM1A (0.36) GPR119ALDH1A1BACE1CTSDCTSE
SCHEMBL6868576 0.70 GPR119 (0.37) HTTGPR119ALDH1A1BACE1CTSD
SCHEMBL16553170 0.69 KDM1A (0.36) GPR119ALDH1A1CYP1A2CYP3A4CYP2C9

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