SCHEMBL7581801

SCHEMBL7581801

CCCCCOC1OCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GBA1 P04062 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.34
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
BLM P54132 1/20 0.33
MGAM O43451 1/20 0.31

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
SCHEMBL10387316 0.84 SMN1; SMN2 (0.41) ALDH1A1TDP1GBA1SMN1; SMN2
SCHEMBL600639 0.83 ALDH1A1 (0.41) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1
SCHEMBL11793056 0.81 GBA1 (0.42) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1
SCHEMBL4922835 0.79 SMN1; SMN2 (0.43) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1
SCHEMBL9008231 0.78 ALDH1A1 (0.42) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1
Phosphoric Acid SCHEMBL29135113 0.75 LPAR3 (0.47) ALDH1A1TDP1GBA1
SCHEMBL94047 0.74
SCHEMBL11797171 0.74 SMN1; SMN2 (0.39) ALDH1A1TDP1GBA1SMN1; SMN2MAPK1
SCHEMBL2321510 0.73 ALDH1A1 (0.53) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1
SCHEMBL1187046 0.73 ALDH1A1 (0.53) ALDH1A1TDP1GBA1SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842168-B1 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN INC (US) 2002-02-20 EP disclosed
US-5936101-A REACTING VINYL SULFIDE COMPOUND WITH OXYGEN AND LIGHT IN PRESENCE OF PHOTOSENSITIZER TO FORM INTERMEDIATE, REACTING WITH ELECTROPHILIC COMPOUND AND HYDROXYLIC COMPOUND TO REPLACE SULFIDE GROUP WITH OXIDE GROUP LUMIGEN, INC. (US) 1999-08-10 US disclosed
US-5883287-A COUPLING KETONE AND THIOESTER IN TITANIUM SALT; DECARBONYLATION, VINYLATION; CHEMICAL INTERMEDIATES FOR CHEMILUMINESCENT 1,2-DIOXETANE DERIVATIVES LUMIGEN, INC. (US) 1999-03-16 US disclosed
EP-0869938-A1 NOVEL VINYL SULFIDE COMPOUNDS AND A PROCESS FOR THEIR PREPARATION LUMIGEN, INC. (US) 1998-10-14 EP disclosed
EP-0869938-A4 1998-10-14 EP disclosed
EP-0842168-A4 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN INC (US) 1998-09-09 EP disclosed
EP-0842168-A1 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN, INC. (US) 1998-05-20 EP disclosed
WO-1997000849-A1 NOVEL VINYL SULFIDE COMPOUNDS AND A PROCESS FOR THEIR PREPARATION LUMIGEN, INC. (US) 1997-01-09 WO disclosed
WO-1997000869-A1 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN, INC. (US) 1997-01-09 WO disclosed