SCHEMBL6676419

SCHEMBL6676419

CC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)O.CC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
SYK P43405 1/20 0.38
CA4 P22748 2/20 0.38

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
SCHEMBL6676150 0.96 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL3050230 0.90 MEN1 (0.46) L3MBTL1MAPK1HDAC3HDAC1HDAC2
SCHEMBL27003934 0.88 HDAC3 (0.45) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL7998541 0.86 ALOX5 (0.49) L3MBTL1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL24207746 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL3903941 0.85 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL7730448 0.84 HDAC1 (0.45) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4755595 0.83 FFAR1 (0.45) HDAC3HDAC1HDAC2NCOR2
SCHEMBL3914953 0.82 ALOX5 (0.46) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL26306701 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPK1HDAC3HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813544-B1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH INC (US) 2004-10-27 EP disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO disclosed