SCHEMBL23279588

SCHEMBL23279588

CC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CTSS P25774 5/20 0.35
▸ CTSL P07711 4/20 0.35
▸ CTSB P07858 3/20 0.35
▸ CTSK P43235 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL24093690 0.88 MMP13 (0.38) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL18256297 0.88 MMP13 (0.38) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL18248065 0.88 MMP13 (0.38) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL24093724 0.85 CTSB (0.37) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL18256483 0.79 CTSS (0.42) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL23269885 0.79 MMP13 (0.39) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL18248145 0.79 MMP13 (0.39) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL18248147 0.79 MMP13 (0.39) ALDH1A1MAPTHPGDL3MBTL1LMNA
SCHEMBL22502801 0.78 CTSK (0.38) ALDH1A1MAPTHPGDL3MBTL1CTSS
SCHEMBL22651691 0.77 POLB (0.37) HPGDLMNAKMT2AMEN1MAPK1

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-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 — — EP disclosed
Send feedback