SCHEMBL4557012

SCHEMBL4557012

C=CCc1cccc2c1sc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALOX5 P09917 1/20 0.39
CYP19A1 P11511 1/20 0.38
PARP14 Q460N5 1/20 0.36
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL31120497 0.87 CYP19A1 (0.52) GPR3GABRA1GABRB2CYP19A1MAPT
SCHEMBL506748 0.87 GABRA1 (0.47) GABRA1GABRB2AURKADAPK3MAP4K4
SCHEMBL176274 0.83 GPR3 (0.48) GPR3GABRA1GABRB2AURKADAPK3
SCHEMBL5460623 0.81 GPR3 (0.47) GPR3GABRA1GABRB2AURKADAPK3
SCHEMBL2957618 0.78 GPR3 (0.50) GPR3ALOX5CYP19A1PARP14MAPT
SCHEMBL30753816 0.78 GPR3 (0.38) GPR3ALOX5CYP19A1PARP14PIM1
SCHEMBL16856052 0.77 CYP2A6 (0.48) GPR3ALOX5CYP19A1PARP14CDK5
SCHEMBL5022689 0.77 GPR3 (0.48) GPR3GABRA1GABRB2ALOX5CYP19A1
SCHEMBL3058488 0.77 GPR3 (0.48) GPR3ALOX5CYP19A1PARP14CDK5
SCHEMBL1395327 0.74 MAPT (0.43) GPR3GABRA1GABRB2CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615145-B2 One-pot process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation KOCAT INC. (KR) 2009-11-10 US claimed
US-7591943-B2 desulfurization, denitrification and producing hydrocarbon oxidates by reacting with oxidant in presence of homogeneous oxidation catalyst and hydrobromide mixtures; gasoline with improved oxidant rating, cetane number KOCAT INC. (KR) 2009-09-22 US claimed
US-20080149533-A1 ONE-POT PROCESS FOR THE REDUCTION OF SULFUR, NITROGEN AND THE PRODUCTION OF USEFUL OXYGENATES FROM HYDROCARBON MATERIALS VIA ONE-POT SELECTIVE OXIDATION KOCAT INC. (KR) 2008-06-26 US claimed
US-20080121565-A1 PROCESS FOR THE REDUCTION OF SULFUR, NITROGEN AND THE PRODUCTION OF USEFUL OXYGENATES FROM HYDROCARBON MATERIALS VIA ONE-POT SELECTIVE OXIDATION KOCAT INC. (KR) 2008-05-29 US claimed
EP-1911830-A1 Process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation Kocat Inc. (KR) 2008-04-16 EP claimed
EP-1911831-A1 One-pot process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation Kocat Inc. (KR) 2008-04-16 EP claimed
US-7615145-B2 One-pot process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation KOCAT INC. (KR) 2009-11-10 US disclosed
US-7591943-B2 desulfurization, denitrification and producing hydrocarbon oxidates by reacting with oxidant in presence of homogeneous oxidation catalyst and hydrobromide mixtures; gasoline with improved oxidant rating, cetane number KOCAT INC. (KR) 2009-09-22 US disclosed
US-20080149533-A1 ONE-POT PROCESS FOR THE REDUCTION OF SULFUR, NITROGEN AND THE PRODUCTION OF USEFUL OXYGENATES FROM HYDROCARBON MATERIALS VIA ONE-POT SELECTIVE OXIDATION KOCAT INC. (KR) 2008-06-26 US disclosed
US-20080121565-A1 PROCESS FOR THE REDUCTION OF SULFUR, NITROGEN AND THE PRODUCTION OF USEFUL OXYGENATES FROM HYDROCARBON MATERIALS VIA ONE-POT SELECTIVE OXIDATION KOCAT INC. (KR) 2008-05-29 US disclosed
EP-1911830-A1 Process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation Kocat Inc. (KR) 2008-04-16 EP disclosed
EP-1911831-A1 One-pot process for the reduction of sulfur, nitrogen and the production of useful oxygenates from hydrocarbon materials via one-pot selective oxidation Kocat Inc. (KR) 2008-04-16 EP disclosed