SCHEMBL22804864

SCHEMBL22804864

O=C(CC(=O)C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.61
MAOB P27338 4/20 0.59
MAOA P21397 1/20 0.59
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PLOD2 O00469 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL22805037 0.88 PLOD2 (0.69) NR4A2MAOBNPC1RAB9APLOD2
SCHEMBL22804725 0.86 MAOB (0.61) NR4A2MAOBNPC1RAB9APLOD2
SCHEMBL1115991 0.86 NR4A1 (0.60) NR4A2MAOBNPC1RAB9APLOD2
SCHEMBL22804566 0.86 S1PR1 (0.48) NR4A2MAOBMAOAPLOD2
SCHEMBL29623539 0.86 S1PR1 (0.48) NR4A2MAOBMAOAPLOD2
SCHEMBL22804709 0.84 PLOD2 (0.58) PLOD2MAPTMEN1KMT2AKDM4E
SCHEMBL584065 0.84 PLOD2 (0.70) NPC1RAB9APLOD2MAPTALDH1A1
SCHEMBL22804448 0.83 PLOD2 (0.48) NR4A2MAOBNPC1RAB9APLOD2
SCHEMBL22804502 0.82 MAOB (0.63) MAOBMAOARAB9AMAPTALDH1A1
SCHEMBL22804447 0.80 PLOD2 (0.50) NR4A2MAOBMAOAPLOD2MAPT

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-3986875-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2022-04-27 EP disclosed
WO-2020254490-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 WO disclosed