SCHEMBL1038488

SCHEMBL1038488

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
REN P00797 4/20 0.35
MMP9 P14780 4/20 0.35
MMP1 P03956 3/20 0.35
MMP3 P08254 3/20 0.35
ADAM17 P78536 1/20 0.35
ADAM9 Q13443 1/20 0.35
MMP7 P09237 2/20 0.34
MMP13 P45452 1/20 0.34
P2RX4 Q99571 1/20 0.34
BMP1 P13497 1/20 0.34
PDE4B Q07343 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL1038319 0.94 MMP9 (0.35) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2343571 0.93 MMP9 (0.37) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2341075 0.92 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2337532 0.91 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL3913491 0.91 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL3902420 0.91 REN (0.38) RENTP53THRBAXLMERTK
SCHEMBL5069719 0.91 REN (0.38) RENTP53THRBAXLMERTK
SCHEMBL1040324 0.91 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2335814 0.91 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL1014767 0.91 REN (0.34) RENPDE4B

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