SCHEMBL7302832

SCHEMBL7302832

CCOC(=O)[C@H]1NCC(=S)C1C(=O)CC1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 6/20 0.35
NR1D1 P20393 1/20 0.35
DHFR P00374 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7296622 0.96 GAA (0.36) GAAMAPK1CYP2C9CYP2C19KDM4E
SCHEMBL7305086 0.93 ADRA1D (0.39) GAAMAPK1CYP2C9CYP2C19KDM4E
SCHEMBL7296333 0.93 ADRA1D (0.39) GAAMAPK1CYP2C9CYP2C19KDM4E
SCHEMBL7302057 0.93 ADRA1D (0.39) GAAMAPK1CYP2C9CYP2C19KDM4E
SCHEMBL7295766 0.84 ADRA1D (0.34) GAACYP2C9CYP2C19KDM4ECYP1A2
SCHEMBL7296404 0.83 GAA (0.36) GAAMEN1KMT2AMAPT
SCHEMBL7295136 0.83 ALDH1A1 (0.38) GAAMAPK1CYP2C9CYP2C19KDM4E
SCHEMBL8160077 0.83 METAP1 (0.39) GAAMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL7297223 0.82 ITGB3 (0.34)
SCHEMBL7294598 0.82 CYP26A1 (0.44) KDM4EALDH1A1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017929-A Cholinesterase activator ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0754454-A1 CHOLINESTERASE ACTIVATOR ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-22 EP disclosed
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed