SCHEMBL23965663

SCHEMBL23965663

CCC/C=C(\C(=O)OC)c1cccc(C)c1CO/N=C(\C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 2/20 0.37
RXFP1 Q9HBX9 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HIF1A Q16665 1/20 0.35
DDR1 Q08345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CRHR1 P34998 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
SCHEMBL23965597 0.90 PPARG (0.37) PPARGPPARATAS1R3TAS1R1GAA
SCHEMBL23978207 0.89 SMN1; SMN2 (0.38) PPARGPPARAPOLBALDH1A1HIF1A
SCHEMBL23969503 0.89 KMT2A (0.42) MEN1KMT2APPARGPPARATAS1R3
SCHEMBL23965572 0.88 TAS1R3 (0.38) MEN1KMT2APPARGPPARATAS1R3
SCHEMBL23965585 0.88 GAA (0.41) KMT2APPARGPPARAPOLBALDH1A1
SCHEMBL23978133 0.87 HPGD (0.39) KMT2APPARGPPARAHIF1A
SCHEMBL23965695 0.86 HIF1A (0.33) PPARGPPARAGAAHIF1ACRHR1
SCHEMBL23965635 0.85 KDM4E (0.35) KMT2APPARGPPARAPOLBALDH1A1
SCHEMBL23969524 0.84 S1PR1 (0.37) PPARGPPARAALDH1A1HIF1AMAPT
SCHEMBL23971579 0.83 HIF1A (0.50) MEN1KMT2APPARGPPARATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed