SCHEMBL24093760

SCHEMBL24093760

CN(C(=O)OC(C)(C)C)C(CC(C)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ SYK P43405 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL18256447 1.00 L3MBTL1 (0.44) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL18248192 0.93 L3MBTL1 (0.41) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL22651599 0.88 L3MBTL1 (0.40) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL18248065 0.84 MMP13 (0.38) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL24093690 0.84 MMP13 (0.38) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL24093764 0.84 MMP13 (0.38) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL18256297 0.84 MMP13 (0.38) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL23811003 0.84 L3MBTL1 (0.45) L3MBTL1SYKMMP13ALDH1A1ABCB1
SCHEMBL13519510 0.84 CTSK (0.48) L3MBTL1SYKMMP13MAPTNPSR1
SCHEMBL13707765 0.84 L3MBTL1 (0.42) L3MBTL1SYKMMP13ALDH1A1ABCB1

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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