SCHEMBL7305718

SCHEMBL7305718

CC1CC(NC(=O)OC(C)(C)C)CC(C)N1C(=O)OC(Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ ACE P12821 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ CTSS P25774 2/20 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
▸ SCN9A Q15858 2/20 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
SCHEMBL7305721 1.00 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9326326 0.90 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7305948 0.90 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7307138 0.82 KMT2A (0.51) KMT2AL3MBTL1MAPK1YAP1KCNA3
SCHEMBL7381400 0.82 KMT2A (0.51) KMT2AL3MBTL1MAPK1YAP1KCNA3
SCHEMBL7304024 0.82 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7304028 0.82 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7374289 0.77 L3MBTL1 (0.74) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7295795 0.77 L3MBTL1 (0.48) KMT2AL3MBTL1KDM1AMAOBMAPK1
SCHEMBL7305910 0.73 KMT2A (0.55) KMT2AL3MBTL1MAPK1KCNA3

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
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US 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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