SCHEMBL5645993

SCHEMBL5645993

CC(C)(C)OC(=O)NC1CCCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KLK7 P49862 5/20 0.48
KLK5 Q9Y337 4/20 0.48
MERTK Q12866 9/20 0.48
AXL P30530 6/20 0.48
MET P08581 1/20 0.48
TYRO3 Q06418 1/20 0.48
P2RX7 Q99572 1/20 0.48
KCNA5 P22460 1/20 0.47
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL12734545 1.00 KMT2A (0.54) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL5435734 1.00 KMT2A (0.54) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL4380010 0.98 KMT2A (0.51) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL14583914 0.98 KMT2A (0.51) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL8280167 0.98 KMT2A (0.51) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL1928743 0.98 KMT2A (0.51) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL4755871 0.93 KLK7 (0.50) KMT2AL3MBTL1KLK7KLK5KDM1A
SCHEMBL24437025 0.88 AXL (0.43) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL30861499 0.88 CACNA1B (0.48) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL31470310 0.87 KMT2A (0.52) KMT2AL3MBTL1KLK7KLK5KDM1A

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-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed