SCHEMBL8201445

SCHEMBL8201445

COC(=O)C(Cc1ccccc1)O/N=C\COCc1ccccc1/C(=C\C(F)(F)F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.38
PPARG P37231 5/20 0.36
PPARA Q07869 4/20 0.36
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
CAPN1 P07384 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
CTRB1 P17538 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
ATM Q13315 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL8210930 0.83 HIF1A (0.43) MIFPPARGPPARANOS2NOS3
SCHEMBL8207735 0.81 SLC6A2 (0.31)
SCHEMBL8209012 0.81 SLC6A2 (0.31)
SCHEMBL8209935 0.79 HIF1A (0.41) MIFPPARGPPARANOS2NOS3
SCHEMBL8207817 0.76 KCNN4 (0.31) KMT2A
SCHEMBL8200862 0.70 HCAR2 (0.33)
SCHEMBL8209463 0.68 PPARG (0.34) PPARGPPARAKMT2ATSHR
SCHEMBL8207737 0.67 KDM4E (0.31) PPARGPPARA
SCHEMBL8207734 0.67 KDM4E (0.31) PPARGPPARA
SCHEMBL8207824 0.64 HIF1A (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021399-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS AVENTIS CROPSCIENCE S.A. (FR) 2000-07-26 EP disclosed
WO-1998015512-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS RHONE POULENC AGROCHIMIE (FR) 1998-04-16 WO disclosed