SCHEMBL8089832

SCHEMBL8089832

CC(=O)OC[C@H](CO)c1ccccc1.NC(O)=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
ALDH1A1 P00352 4/20 0.42
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8089829 1.00 CYP1A2 (0.57) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
Carbamic Acid SCHEMBL8392185 0.94 CYP1A2 (0.60) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
Carbamic Acid SCHEMBL8392184 0.94 CYP1A2 (0.60) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
Carbamic Acid SCHEMBL8934351 0.94 CYP1A2 (0.60) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL2705028 0.92 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL2705027 0.92 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8103307 0.92 CYP1A2 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8098998 0.86 CYP1A2 (0.63) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8089826 0.86 CYP1A2 (0.63) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9771995 0.84 CYP1A2 (0.67) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802901-B1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LTD (KR) 2000-10-04 EP claimed
EP-0802901-A1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-10-29 EP claimed
US-5627300-A Carbamate compounds containing thiocarbamoyl group and process for preparing the same YUKONG LIMITED (KR) 1997-05-06 US claimed
WO-1996020922-A1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-07-11 WO claimed
EP-0802901-B1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LTD (KR) 2000-10-04 EP disclosed
EP-0802901-A1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-10-29 EP disclosed
US-5627300-A Carbamate compounds containing thiocarbamoyl group and process for preparing the same YUKONG LIMITED (KR) 1997-05-06 US disclosed
WO-1996020922-A1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-07-11 WO disclosed