SCHEMBL7599076

SCHEMBL7599076

CC(c1ccccc1)C(CO)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.41
AAK1 Q2M2I8 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
RIPK1 Q13546 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6703239 0.84 AAK1 (0.40) AAK1CTSSCTSKATML3MBTL1
SCHEMBL22928454 0.82 KMT2A (0.55) MMEHTTKMT2AMEN1ALDH1A1
SCHEMBL127388 0.80 ATM (0.44) AAK1CTSSCTSKATML3MBTL1
SCHEMBL13059481 0.80 ATM (0.44) AAK1CTSSCTSKATML3MBTL1
SCHEMBL27342092 0.79 ATM (0.42) MMEAAK1CTSSCTSKATM
SCHEMBL27331415 0.79 ATM (0.42) MMEAAK1CTSSCTSKATM
SCHEMBL1916161 0.77 MME (0.43) MMECTSSCTSKL3MBTL1HTT
SCHEMBL1915606 0.77 MME (0.43) MMECTSSCTSKL3MBTL1HTT
SCHEMBL1915282 0.77 MME (0.43) MMECTSSCTSKL3MBTL1HTT
SCHEMBL7067828 0.77 MME (0.43) MMECTSSCTSKL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed