SCHEMBL9318110

SCHEMBL9318110

CC(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.53
▸ CTSS P25774 4/20 0.53
▸ GABRB1 P18505 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ PPARA Q07869 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL3288025 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL18918278 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL22433704 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13211540 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13232389 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4441037 0.86 SLC6A4 (0.54) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL15632169 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL5755881 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL14923545 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL15632507 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT

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
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 — — CN disclosed
EP-0593557-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. MERCK SHARP & DOHME (GB) 1994-04-27 — — EP disclosed
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