SCHEMBL22804652

SCHEMBL22804652

O=C(CC(=O)C(F)(F)F)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.64
FEN1 P39748 3/20 0.64
PLOD2 O00469 3/20 0.60
MMP1 P03956 2/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
PLOD3 O60568 2/20 0.54
PLOD1 Q02809 2/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPK14 Q16539 3/20 0.51
PARP10 Q53GL7 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL22804709 0.86 PLOD2 (0.58) ERCC5FEN1PLOD2MMP1PLOD3
SCHEMBL523476 0.84 PLOD2 (0.69) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL10613054 0.83 PLOD2 (0.67) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL9630807 0.83 PLOD2 (0.67) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL9654173 0.83 PLOD2 (0.67) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL30846025 0.83 PLOD2 (0.67) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL9565951 0.83 PLOD2 (0.67) ERCC5FEN1PLOD2HDAC1HDAC2
SCHEMBL1115991 0.82 NR4A1 (0.60) PLOD2PARP10SRD5A2
SCHEMBL12366959 0.82 SRD5A2 (0.47) ERCC5FEN1HDAC1HDAC2HDAC3
SCHEMBL6666160 0.81 PLOD2 (0.66) ERCC5FEN1PLOD2HDAC1HDAC2

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