SCHEMBL4564347

SCHEMBL4564347

CC(C)(C)OC(=O)N(Cc1ccc(N)cc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
AKT1 P31749 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ACE P12821 1/20 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
SCHEMBL4564346 1.00 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472423 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472422 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL18359864 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8359320 0.89 HDAC3 (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28175486 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1971865 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28209574 0.86 SLC7A5 (0.36) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL4563902 0.84 AAK1 (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL18203970 0.84 AAK1 (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
CN-102942520-B P38 map kinase inhibitors CHROMA THERAPEUTICS LTD 2015-03-04 CN disclosed
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN disclosed
EP-2013175-A1 p38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed