SCHEMBL766725

SCHEMBL766725

O=C(COCC(I)=C(I)I)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL11437247 0.87 CYP19A1 (0.52) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL11056953 0.87 CYP19A1 (0.41) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL11056955 0.87 CYP19A1 (0.41) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL11058436 0.85 PRSS1 (0.44) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL11052584 0.83 GAA (0.54) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL11053141 0.83 KMT2A (0.40) ALDH1A1KMT2AELANEGAAMAPT
SCHEMBL11056295 0.83 LMNA (0.53) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL10075111 0.82 ALOX15 (0.55) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL3438961 0.80 CYP19A1 (0.49) CYP19A1PRSS1PRSS2PRSS3ALOX15
SCHEMBL839138 0.79 ALDH1A1 (0.48) CYP19A1PRSS1PRSS2PRSS3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148671-B1 USE OF FUNGICIDES FOR TREATING FISH MYCOSES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8455481-B2 Use of fungicides for the treatment of fish mycoses BAYER CROPSCIENCE AG (DE) 2013-06-04 US disclosed
US-20130012558-A1 Use of Fungicides for the Treatment of Fish Mycoses BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-10 US disclosed
US-20120071531-A1 Use of Fungicides for the Treatment of Fish Mycoses BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
US-20100145045-A1 USE OF FUNGICIDES FOR THE TREATMENT OF FISH MYCOSES BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
US-20100063039-A1 USE OF FUNGICIDES FOR THE TREATMENT OF FISH MYCOSES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-03-11 US disclosed
EP-2136802-A2 USE OF FUNGICIDES FOR TREATING FISH MYCOSES Bayer CropScience Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008128654-A2 USE OF FUNGICIDES FOR TREATING FISH MYCOSES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-10-30 WO disclosed
EP-1982715-A1 Use of fungicides for treating fish mycoses Bayer CropScience AG (DE) 2008-10-22 EP disclosed
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed