SCHEMBL9767447

SCHEMBL9767447

CC(C)COC1=CC(=O)NC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
PLA2G7 Q13093 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
BTK Q06187 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
XDH P47989 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
SCHEMBL9767318 0.81 HTT (0.47) HTTMAPTKMT2A
SCHEMBL7770871 0.79
SCHEMBL9766990 0.75 HTT (0.43) HTTTSHR
SCHEMBL9321078 0.74 HTT (0.51) HTTTSHRLMNA
SCHEMBL145648 0.71
SCHEMBL25271424 0.70 PLA2G7 (0.32) PLA2G7
SCHEMBL3643718 0.69 PLA2G7 (0.36) PLA2G7PDE4APDE4BPDE4CPDE4D
SCHEMBL10972443 0.69 PLA2G7 (0.33) PLA2G7BRD4CREBBP
SCHEMBL9767083 0.69 HTT (0.50) HTTKDM4E
SCHEMBL9767135 0.67 HTT (0.43) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed