SCHEMBL29623623

SCHEMBL29623623

O=C(CC(=O)C(F)(F)F)c1ccc(Sc2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 3/20 0.51
▸ PLOD3 O60568 2/20 0.47
▸ PLOD1 Q02809 2/20 0.47
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ BLM P54132 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL22804720 1.00 PLOD2 (0.51) PLOD2PLOD3PLOD1EPHX2ALDH1A1
SCHEMBL29623556 0.84 PLOD2 (0.51) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL22804819 0.84 PLOD2 (0.51) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL22804475 0.83 PLOD2 (0.60) PLOD2PLOD3PLOD1ALDH1A1LMNA
SCHEMBL7839202 0.80 ALDH1A1 (0.52) EPHX2ALDH1A1LMNABLMNPSR1
SCHEMBL365542 0.75 PKM (0.49) EPHX2ALDH1A1MEN1KMT2AMAPT
SCHEMBL584065 0.74 PLOD2 (0.70) PLOD2PLOD3PLOD1ALDH1A1LMNA
SCHEMBL523476 0.74 PLOD2 (0.69) PLOD2PLOD3PLOD1ALDH1A1LMNA
SCHEMBL13239476 0.73 HPGD (0.62) EPHX2ALDH1A1LMNABLMNPSR1
SCHEMBL4032443 0.73 PLOD2 (0.64) PLOD2PLOD3PLOD1EPHX2ALDH1A1

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-3986875-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2022-04-27 — — EP disclosed
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