SCHEMBL22804475

SCHEMBL22804475

O=C(CC(=O)C(F)(F)F)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 4/20 0.60
▸ PLOD3 O60568 3/20 0.54
▸ PLOD1 Q02809 3/20 0.54
▸ HPGD P15428 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CES1 P23141 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ EZH2 Q15910 1/20 0.41
▸ ERCC5 P28715 2/20 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
SCHEMBL523476 0.84 PLOD2 (0.69) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL22804819 0.83 PLOD2 (0.51) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL29623556 0.83 PLOD2 (0.51) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL29623623 0.83 PLOD2 (0.51) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL22804720 0.83 PLOD2 (0.51) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL9654173 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL30846025 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL9630807 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL10613054 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1HPGDALDH1A1
SCHEMBL9565951 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1HPGDALDH1A1

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
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