SCHEMBL1040324

SCHEMBL1040324

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
ADAM17 P78536 1/20 0.36
ADAM9 Q13443 1/20 0.36
PIK3CG P48736 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
REN P00797 2/20 0.35
MMP7 P09237 2/20 0.35
MMP13 P45452 1/20 0.35
P2RX4 Q99571 1/20 0.34
BMP1 P13497 1/20 0.34
PDE4B Q07343 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL3907512 0.95 REN (0.38) PIK3CGRENTMEM97SIGMAR1
SCHEMBL2343571 0.95 MMP9 (0.37) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2341075 0.95 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2335814 0.93 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL1038319 0.93 MMP9 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL3913491 0.93 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2337532 0.93 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL1039332 0.92 MMP9 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL3908978 0.92 MMP9 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL3907545 0.92 MMP9 (0.35) MMP9MMP1MMP3ADAM17ADAM9

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