SCHEMBL25428674

SCHEMBL25428674

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.59
▸ CTSS P25774 5/20 0.53
▸ CTSK P43235 4/20 0.53
▸ CTSB P07858 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ ACE P12821 1/20 0.51
▸ KLK5 Q9Y337 1/20 0.50
▸ BCL2 P10415 3/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ REN P00797 2/20 0.48
▸ ITGA4 P13612 2/20 0.48
▸ ITGB7 P26010 2/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL11798788 0.86 SMN1; SMN2 (0.50) EPHX2CTSSCTSKCTSBCTSL
SCHEMBL11066257 0.86 CTSL (0.55) CTSSCTSKCTSBCTSL
SCHEMBL12869935 0.84 CTSS (0.52) EPHX2CTSSCTSKCTSBCTSL
SCHEMBL28408225 0.83 EPHX2 (0.54) EPHX2
SCHEMBL495975 0.83 ITGA4 (0.55) EPHX2CTSSCTSKCTSBCTSL
SCHEMBL883397 0.83 ITGA4 (0.55) EPHX2CTSSCTSKCTSBCTSL
SCHEMBL6988240 0.83 ITGA4 (0.55) EPHX2CTSSCTSKCTSBCTSL
SCHEMBL6367780 0.82 BCL2 (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL9752532 0.82 CTSL (0.52) CTSSCTSKCTSBCTSL
SCHEMBL6889410 0.81 PPARG (0.55) EPHX2CTSSCTSKCTSBCTSL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203339-A1 Amino Acid Helical Array Film and Preparation Method Thereof Zju-hangzhou Global Scientific And Technological Innovation Center (CN) 2023-06-29 — — US claimed
CN-114605290-B Amino acid spiral array film and preparation method thereof 浙江大学杭州国际科创中心 2023-04-07 — — CN claimed
CN-114605290-A Amino acid spiral array film and preparation method thereof 浙江大学杭州国际科创中心 2022-06-10 — — CN claimed
US-20230203339-A1 Amino Acid Helical Array Film and Preparation Method Thereof Zju-hangzhou Global Scientific And Technological Innovation Center (CN) 2023-06-29 — — US disclosed
CN-114605290-B Amino acid spiral array film and preparation method thereof 浙江大学杭州国际科创中心 2023-04-07 — — CN disclosed
CN-114605290-A Amino acid spiral array film and preparation method thereof 浙江大学杭州国际科创中心 2022-06-10 — — CN disclosed
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