SCHEMBL22384129

SCHEMBL22384129

C[C@@H](NC(=O)C(Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ LY96 Q9Y6Y9 1/20 0.40
▸ CTSB P07858 2/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.39
▸ LHCGR P22888 1/20 0.39
▸ CBX4 O00257 2/20 0.39
▸ CBX7 O95931 2/20 0.39
▸ CDYL2 Q8N8U2 2/20 0.39
▸ CBX8 Q9HC52 2/20 0.39
▸ KIFC1 Q9BW19 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ESRRG P62508 1/20 0.39
▸ KLKB1 P03952 1/20 0.38

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
SCHEMBL16306015 1.00 TDP1 (0.42) TDP1CTSSCTSKL3MBTL1CTSL
SCHEMBL22756194 0.90 TDP1 (0.43) TDP1CTSSCTSKL3MBTL1CTSL
SCHEMBL16305640 0.90 TDP1 (0.43) TDP1CTSSCTSKL3MBTL1CTSL
SCHEMBL28534838 0.90 TDP1 (0.43) TDP1CTSSCTSKL3MBTL1CTSL
SCHEMBL16343523 0.89 L3MBTL1 (0.45) CTSSCTSKL3MBTL1CTSLCTSB
SCHEMBL22384187 0.87 LY96 (0.43) TDP1CTSSCTSKL3MBTL1LY96
SCHEMBL16294807 0.87 PPARG (0.45) L3MBTL1CBX4CBX7CDYL2CBX8
SCHEMBL16295907 0.87 PPARG (0.45) L3MBTL1CBX4CBX7CDYL2CBX8
SCHEMBL16295908 0.87 PPARG (0.45) L3MBTL1CBX4CBX7CDYL2CBX8
SCHEMBL22756207 0.86 TDP1 (0.39) TDP1CTSSCTSKL3MBTL1CTSL

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-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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