SCHEMBL5237487

SCHEMBL5237487

CC(C)(C)OC(=O)NC1(C(=O)O)CC(OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.42
KLK7 P49862 5/20 0.42
KLK5 Q9Y337 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SYK P43405 1/20 0.41
PPARA Q07869 1/20 0.41
AKT1 P31749 2/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
ABCB1 P08183 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL14416216 1.00 KMT2A (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL7936447 0.91 OPRM1 (0.44) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL14416217 0.91 KLK7 (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL15580417 0.90 PPARA (0.44) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL15580424 0.90 PPARA (0.42) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL14640317 0.88 OPRM1 (0.49) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL15306512 0.88 SYK (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL296601 0.88 SYK (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL5235644 0.85 SYK (0.41) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL17691231 0.84 EPHX2 (0.42) KMT2AL3MBTL1EPHX2KLK7KLK5

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
WO-2023183757-A2 ORTHOGONAL FUNCTIONALIZATION OF BRIDGE-SUBSTITUTED BCPS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-28 WO disclosed
EP-0990654-B1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2007-11-14 EP disclosed
US-6448266-B1 COMPOUNDS SUCH AS 2-AMINO-7-(3-(3-AMINO-1-FLUOROCYCLOBUTAN-3-YL)PYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-8-METHYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID; ANTIBACTERIAL ACTIVITY; STAPHYLOCOCCUS, PNEUMOCOCCUS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-09-10 US disclosed
EP-0990654-A1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed