SCHEMBL23978124

SCHEMBL23978124

CCC/C=C(\C(=O)OC)c1cccc(C)c1CO/N=C(/c1ccc(CC)cc1)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
GAA P10253 2/20 0.30
NPC1 O15118 2/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 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
SCHEMBL23978035 0.87 HIF1A (0.35) RAB9ALMNAPPARGALDH1A1TDP1
SCHEMBL23969524 0.87 S1PR1 (0.37) RAB9AMAPTLMNAL3MBTL1PPARG
SCHEMBL23965633 0.83 SMN1; SMN2 (0.33) RAB9APPARGALDH1A1NPC1CYP1A2
SCHEMBL23978133 0.79 HPGD (0.39) RAB9ALMNAL3MBTL1PPARGNPC1
SCHEMBL23965598 0.79 MAPT (0.37) RAB9AMAPTLMNAL3MBTL1PPARG
SCHEMBL23967970 0.79 S1PR1 (0.41) RAB9AMAPTLMNAPPARGALDH1A1
SCHEMBL23965597 0.78 PPARG (0.37) RAB9APPARGTAS1R3TAS1R1GAA
SCHEMBL23978207 0.78 SMN1; SMN2 (0.38) RAB9ALMNAPPARGALDH1A1TDP1
SCHEMBL23965635 0.77 KDM4E (0.35) RAB9AMAPTPPARGALDH1A1GAA
SCHEMBL23965627 0.75 HIF1A (0.34) RAB9AMAPTL3MBTL1PPARGALDH1A1

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-3903581-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 I BASF SE (DE) 2021-11-03 EP disclosed