SCHEMBL13655642

SCHEMBL13655642

CC(S)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACE P12821 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.30
MME P08473 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL9911469 0.81 KDM4C (0.42) MAPTALDH1A1KDM4CTSHRPOLB
SCHEMBL17690435 0.77 KDM4C (0.39) MAPTALDH1A1KDM4CTSHRPOLB
SCHEMBL1979304 0.77 KDM4C (0.39) MAPTALDH1A1KDM4CTSHRPOLB
SCHEMBL3883297 0.77 KDM4C (0.39) ALDH1A1KDM4CTSHRPOLB
SCHEMBL13957176 0.77 KDM4C (0.39) ALDH1A1KDM4CTSHRPOLB
SCHEMBL413295 0.74 KDM4C (0.46) ALDH1A1ACEKDM4CTSHRMME
SCHEMBL6740116 0.72 ALDH1A1 (0.54) MAPTALDH1A1KDM4C
SCHEMBL30811127 0.72 KDM4C (0.36) MAPTALDH1A1KDM4C
SCHEMBL931001 0.71 ACE (0.42) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL30811141 0.71 DPP4 (0.44) MAPTALDH1A1KDM4CTSHR

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
EP-1590387-B1 RING-OPENED AZLACTONE INITIATORS FOR NITROXIDE-MEDIATED POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2009-10-21 EP disclosed