SCHEMBL1040715

SCHEMBL1040715

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](OCCCO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.34
MMP9 P14780 3/20 0.33
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
BMP1 P13497 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
P2RX4 Q99571 1/20 0.32
PDE4B Q07343 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM1A O60341 1/20 0.31
PIK3CG P48736 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
EDNRA P25101 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL3902921 0.96 REN (0.37) RENGRM5
SCHEMBL2338242 0.94 BMP1 (0.35) RENMMP9MMP1MMP3BMP1
SCHEMBL4533929 0.92 REN (0.36) RENTP53THRB
SCHEMBL2343571 0.91 MMP9 (0.37) RENMMP9MMP1MMP3BMP1
SCHEMBL1040324 0.91 MMP9 (0.36) RENMMP9MMP1MMP3BMP1
SCHEMBL2341075 0.91 MMP9 (0.36) RENMMP9MMP1MMP3BMP1
SCHEMBL3907545 0.90 MMP9 (0.35) RENMMP9MMP1MMP3BMP1
SCHEMBL3907547 0.90 MMP9 (0.35) RENMMP9MMP1MMP3BMP1
SCHEMBL1037839 0.90 REN (0.36) RENBMP1GRM5
SCHEMBL3268517 0.90 REN (0.34) RENBMP1BCL9CTNNB1PDE4B

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-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed