SCHEMBL483576

SCHEMBL483576

CCCCCOc1oc2ccc(I)cc2c(=O)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.41
PGAM1 P18669 2/20 0.37
ALOX15 P16050 1/20 0.36
APP P05067 2/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HSD17B3 P37058 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL29451185 0.96 APP (0.39) LTB4RPGAM1ALOX15APPHSD17B3
SCHEMBL69420 0.96 APP (0.39) LTB4RPGAM1ALOX15APPHSD17B3
SCHEMBL344030 0.92 CYP2A6 (0.37) LTB4RAPPHSD17B3KDM4ENPC1
SCHEMBL3657351 0.90 LTB4R (0.37) LTB4RPGAM1ALOX15APPKDM4E
SCHEMBL343039 0.90 KDM4E (0.37) LTB4RAPPHSD17B3KDM4ENPC1
Carbamic Acid SCHEMBL4557178 0.90 LTB4R (0.41) LTB4RPGAM1APPMTNR1AMTNR1B
SCHEMBL13038104 0.88 ALDH1A1 (0.39) LTB4RPGAM1ALOX15APPKDM4E
SCHEMBL747965 0.86 APP (0.33) LTB4RAPPHSD17B3KDM4ENPC1
SCHEMBL6029914 0.86 APP (0.43) APPHSD17B3KDM4ENPC1ALDH1A1
SCHEMBL6030100 0.84 GABRA1 (0.34) LTB4RAPPHSD17B3KDM4ENPC1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014170354-A1 INSECTICIDAL AND/OR FUNGICIDAL SYNERGISTIC COMBINATIONS OF PHTHALDIAMIDE DERIVATIVES AND A FURTHER ACTIVE INGREDIENT BAYER CROPSCIENCE AG (DE) 2014-10-23 WO claimed
EP-2124557-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN Bayer CropScience AG (DE) 2009-12-02 EP claimed
EP-2086319-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-12 EP claimed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 WO claimed
WO-2008060611-A1 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-22 WO claimed
EP-1895846-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-03-12 EP claimed
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 EP claimed
EP-1871167-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-01-02 EP claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006105888-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-10-12 WO claimed
EP-1675461-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2006-07-05 EP claimed
WO-2005034628-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-04-21 WO claimed
WO-2014170354-A1 INSECTICIDAL AND/OR FUNGICIDAL SYNERGISTIC COMBINATIONS OF PHTHALDIAMIDE DERIVATIVES AND A FURTHER ACTIVE INGREDIENT BAYER CROPSCIENCE AG (DE) 2014-10-23 WO disclosed
EP-2023724-B8 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-06-06 EP disclosed
EP-2453750-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES Bayer CropScience AG (DE) 2012-05-23 EP disclosed
WO-2006040016-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed
WO-2005041653-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2005034628-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed