SCHEMBL21609786

SCHEMBL21609786

Cc1c(Br)cc(O)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
PTPN1 P18031 3/20 0.41

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
SCHEMBL31125265 1.00 AKR1C4 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL25669658 0.84 CA12 (0.50) KDM4EMEN1KMT2ATDP1CA12
SCHEMBL2226763 0.81 AKR1C3 (0.61) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL29454359 0.81 MYC (0.56) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL286633 0.81 MYC (0.56) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL27091773 0.79 TTR (0.54) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL20503773 0.79 CA12 (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL20142067 0.78 GAA (0.55) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL31026219 0.78 CYP3A4 (0.52) KDM4EMEN1KMT2ATDP1CA12
SCHEMBL89590 0.78 CYP3A4 (0.52) KDM4EMEN1KMT2ATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 EP disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 WO disclosed