SCHEMBL7306601

SCHEMBL7306601

COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7305859 0.92 KMT2A (0.52) ALDH1A1KDM4EHIF1AKMT2AMEN1
SCHEMBL7292751 0.85 KMT2A (0.55) ALDH1A1RAB9AGAAKMT2AMEN1
SCHEMBL7274220 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHIF1ARAB9AKMT2A
SCHEMBL27303428 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHIF1ARAB9AKMT2A
SCHEMBL7274173 0.82 KMT2A (0.51) ALDH1A1KDM4EHIF1ARAB9AKMT2A
SCHEMBL9833395 0.81 GAA (0.46) ALDH1A1HDAC6HDAC1RAB9AGAA
SCHEMBL7301518 0.78 KMT2A (0.65) ALDH1A1KMT2A
SCHEMBL9832460 0.77 LDHA (0.50) ALDH1A1HDAC6HDAC1RAB9AGAA
SCHEMBL7296180 0.76 REN (0.43) ALDH1A1RAB9AGAAKMT2AMEN1
SCHEMBL7430899 0.73 ALDH1A1 (0.44) ALDH1A1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed