SCHEMBL7714192

SCHEMBL7714192

CC(C)(C)OC(=O)NC1CCN(Cc2cccc(OCc3ccccc3)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NPY1R P25929 2/20 0.45
FAAH O00519 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APP P05067 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP10 P09238 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL7714189 1.00 KMT2A (0.46) KMT2AKDM4ELMNAMEN1ALOX15
SCHEMBL6818563 0.87 KMT2A (0.56) KMT2ANPY1RL3MBTL1APP
SCHEMBL7927436 0.87 KMT2A (0.56) KMT2ANPY1RL3MBTL1APP
SCHEMBL7936884 0.87 KMT2A (0.56) KMT2ANPY1RL3MBTL1APP
SCHEMBL7718985 0.86 NPY1R (0.45) KMT2ANPY1RL3MBTL1F10
SCHEMBL7718989 0.86 NPY1R (0.45) KMT2ANPY1RL3MBTL1F10
SCHEMBL7714010 0.85 SLC16A3 (0.40) KMT2ANPY1RL3MBTL1
SCHEMBL1065805 0.82 SCN9A (0.50) KMT2AKDM4EMEN1NPY1RPOLB
SCHEMBL1065804 0.82 SCN9A (0.50) KMT2AKDM4EMEN1NPY1RPOLB
SCHEMBL2332156 0.81 FNTA (0.46) KMT2ANPY1RFAAHL3MBTL1

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed