SCHEMBL27366058

SCHEMBL27366058

COC(=O)CC(C)(CN)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
PTPN1 P18031 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL27387254 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL20253466 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL31640054 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL12745874 0.82 CTSK (0.42) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL12745999 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27839729 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27647172 0.78 KMT2A (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL4178872 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL12562585 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL21673204 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1

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
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 CN disclosed