SCHEMBL24093764

SCHEMBL24093764

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ SYK P43405 1/20 0.38
▸ ABCB1 P08183 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ITGB3 P05106 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
SCHEMBL18248065 0.89 MMP13 (0.38) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL18256297 0.89 MMP13 (0.38) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL24093690 0.89 MMP13 (0.38) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL18256486 0.88 ABCB1 (0.41) MMP13L3MBTL1SYKABCB1POLB
SCHEMBL29771339 0.88 ABCB1 (0.41) MMP13L3MBTL1SYKABCB1POLB
SCHEMBL21447941 0.87 MMP13 (0.36) MMP13L3MBTL1SYKABCB1POLB
SCHEMBL18248192 0.84 L3MBTL1 (0.41) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL24093760 0.84 L3MBTL1 (0.44) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL18256447 0.84 L3MBTL1 (0.44) MMP13L3MBTL1SYKABCB1ALDH1A1
SCHEMBL18248150 0.83 PPARG (0.38) MMP13L3MBTL1SYKABCB1ITGB3

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-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 — — EP disclosed
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