SCHEMBL9808385

SCHEMBL9808385

Cc1csc(C(=O)CCc2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
KEAP1 Q14145 1/20 0.46
P2RX7 Q99572 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX5 P09917 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL10969876 0.75 ALDH1A1 (0.47) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL11526781 0.74 NPC1 (0.56) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL9808448 0.74 S1PR1 (0.43) ALDH1A1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL10565203 0.73 S1PR1 (0.42) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL1844262 0.72 SLC5A1 (0.58) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL10971703 0.72 GAA (0.54) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL11239913 0.72 SLC5A1 (0.54) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL3865201 0.72 DAO (0.51) ALDH1A1GAAMAPTSLC5A1SLC5A2
SCHEMBL27889179 0.71 RECQL (0.62) ALDH1A1KEAP1P2RX7CYP1A1CYP1B1
SCHEMBL12330301 0.68 NPC1 (0.70) ALDH1A1MAPTKEAP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266336-B1 1-[3-(2-Dialkylaminoethoxy)-2-thienyl]-3-phenyl-1-propanones and their acid addition salts, process for their preparation and pharmaceutical compositions containing them Binder, Dieter, Prof. Dr. (AT) 1991-05-15 EP disclosed
US-4814330-A CARDIOVASCULAR DISORDERS BINDER DIETER (AT) 1989-03-21 US disclosed
EP-0266336-A1 1-[3-(2-Dialkylaminoethoxy)-2-thienyl]-3-phenyl-1-propanones and their acid addition salts, process for their preparation and pharmaceutical compositions containing them Binder, Dieter, Prof. Dr. (AT) 1988-05-04 EP disclosed
EP-0233173-A1 1-[3-(2-Hydroxy-3-alkylamino-propoxy)-2-thienyl]-3-phenyl-1-propanones and their acid addition salts, process for their preparation and pharmaceutical compositions containing them Laevosan-Gesellschaft m.b.H. (AT) 1987-08-19 EP disclosed
EP-0053603-B1 1-(3-(2-HYDROXY-3-ALKYLAMINOPROPOXY)-2-THIENYL)-3-PHENYL-1 PROPANONES AND THEIR ACID ADDITION SALTS, AND PROCESS FOR THEIR PREPARATION Laevosan-Gesellschaft m.b.H. & Co KG (AT) 1985-04-03 EP disclosed
US-4352819-A ANTIARRHYTHMIA AGENTS LAEVOSAN-GESELLSCHAFT MBH & CO. KG (AT) 1982-10-05 US disclosed