SCHEMBL4886199

SCHEMBL4886199

CCCCCC(O)C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 1/20 0.50
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
LAP3 P28838 2/20 0.39

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
SCHEMBL28086869 0.82
SCHEMBL1876621 0.82
Hydrochloric Acid SCHEMBL28275255 0.80
SCHEMBL12019016 0.78 OPRM1 (0.44) GPR84SPHK1OPRM1CYP2D6LMNA
SCHEMBL723124 0.78 GPR84 (0.58) GPR84FFAR1SPHK1OPRM1CYP2D6
SCHEMBL1291102 0.76 GPR84 (0.61) GPR84FFAR1SPHK1TP53MAPT
SCHEMBL19032390 0.76 CA1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL8021744 0.76 OPRM1 (0.48) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL6048498 0.76 GPR84 (0.61) GPR84FFAR1SPHK1CYP2D6LMNA
SCHEMBL23578543 0.74 GPR84 (0.54) GPR84FFAR1SPHK1OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102653520-A Preparation method of 2-hydroxy-2-aryl thioacetamide UNIV SOOCHOW 2012-09-05 CN claimed
US-8273412-B2 Method for applying corrosion protection layers comprising thioamides to metallic surfaces BASF AKTIENGESELLSCHAFT (DE) 2012-09-25 US disclosed
CN-102653520-A Preparation method of 2-hydroxy-2-aryl thioacetamide UNIV SOOCHOW 2012-09-05 CN disclosed
CN-102653520-A Preparation method of 2-hydroxy-2-aryl thioacetamide UNIV SOOCHOW 2012-09-05 CN disclosed
CN-102653520-A Preparation method of 2-hydroxy-2-aryl thioacetamide UNIV SOOCHOW 2012-09-05 CN disclosed
US-20080131687-A1 Method For Applying Corrosion Protection Layers Comprising Thioamides To Metallic Surfaces BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-0765321-B1 2-AMINO-3-AROYL-BENZO BETA THIOPHENES AND METHOD OF MAKING THE SAME LILLY CO ELI (US) 2001-04-18 EP disclosed
EP-0764150-B1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES LILLY CO ELI (US) 1999-10-27 EP disclosed
US-5792870-A 2-amino-3-aroyl-benzo β!thiophenes and methods for preparing and using same to produce 6-hdyroxy-2-(4-hydroxyphenyl)-3- 4-(2-aminoethoxy)-benzoyl!benzo β!thiophenes ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0764150-A4 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES LILLY CO ELI (US) 1997-09-10 EP disclosed
EP-0765321-A4 1997-05-02 EP disclosed
EP-0765321-A1 2-AMINO-3-AROYL-BENZO BETA THIOPHENES AND METHOD OF MAKING THE SAME ELI LILLY AND COMPANY (US) 1997-04-02 EP disclosed
EP-0764150-A1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-5554755-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-aminoethoxy)-benzoyl]benzo[β]thiophenes ELI LILLY AND COMPANY (US) 1996-09-10 US disclosed
WO-1995034536-A1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1995-12-21 WO disclosed
US-5466810-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-aminoethoxy)-benzoyl]benzo[β]thiophenes ELI LILLY AND COMPANY (US) 1995-11-14 US disclosed
US-5420349-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-]benzo[4-(2-aminoethoxy)-benzoyl[β]thiophenes ELI LILLY AND COMPANY (US) 1995-05-30 US disclosed