SCHEMBL9848463

SCHEMBL9848463

CC(C)[C@@H]([C]=O)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
LTA4H P09960 3/20 0.43
REN P00797 4/20 0.41
ACE P12821 1/20 0.41
ANPEP P15144 1/20 0.41
ECE1 P42892 1/20 0.41

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
SCHEMBL6451867 0.83 MME (0.54) MMELTA4HACEANPEPECE1
SCHEMBL7368655 0.83 MME (0.54) MMELTA4HACEANPEPECE1
SCHEMBL6451863 0.83 MME (0.54) MMELTA4HACEANPEPECE1
SCHEMBL7330319 0.80 MAPK1 (0.58) MMELTA4HREN
SCHEMBL6443861 0.79 MME (0.67) MMELTA4HRENECE1
SCHEMBL6443855 0.79 MME (0.67) MMELTA4HRENECE1
SCHEMBL7378502 0.77 HDAC3 (0.53) MMELTA4H
SCHEMBL7163321 0.77 CYP1A2 (0.59) MMEANPEP
SCHEMBL7269232 0.77 CYP1A2 (0.59) MMEANPEP
SCHEMBL7277365 0.77 CYP1A2 (0.59) MMEANPEP

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-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed