SCHEMBL7304028

SCHEMBL7304028

CC1CC(NC(=O)OC(C)(C)C)CC(C)N1C(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ CPA1 P15085 3/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ACE P12821 2/20 0.40
▸ CTSS P25774 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL7304024 1.00 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBKLK5
SCHEMBL7295795 0.90 L3MBTL1 (0.48) KMT2AL3MBTL1KDM1AMAOBKLK5
SCHEMBL7275016 0.82 KMT2A (0.50) KMT2AL3MBTL1KDM1AMAOBKLK5
SCHEMBL7275022 0.82 KMT2A (0.50) KMT2AL3MBTL1KDM1AMAOBKLK5
SCHEMBL7305721 0.82 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBATM
SCHEMBL7305718 0.82 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBATM
SCHEMBL7374289 0.77 L3MBTL1 (0.74) KMT2AL3MBTL1KDM1AMAOBDRD2
SCHEMBL7305948 0.77 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBATM
SCHEMBL9326326 0.77 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBATM
SCHEMBL7411206 0.74 MC4R (0.51) CPA1CPB1CPA3CPB2

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-0417698-B1 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AG (DE) 1996-03-13 — — EP disclosed
EP-0417698-A2 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP disclosed
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