SCHEMBL11569751

SCHEMBL11569751

CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.51
CTSK P43235 4/20 0.48
CTSB P07858 2/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CTSD P07339 5/20 0.47
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43

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
SCHEMBL11567448 0.90 CTSK (0.55) MMP1CTSKCTSBMMP9MMP8
SCHEMBL11568405 0.83 MME (0.50) MMP1CTSKCTSBCTSD
SCHEMBL11568394 0.83 MME (0.50) MMP1CTSKCTSBCTSD
SCHEMBL11567621 0.81 CTSK (0.55) CTSKCTSBCTSD
SCHEMBL11567622 0.81 CTSK (0.55) CTSKCTSBCTSD
Hydrochloric Acid SCHEMBL11568559 0.80 CTSK (0.54) CTSKCTSBCTSD
Hydrochloric Acid SCHEMBL11568557 0.80 CTSK (0.54) CTSKCTSBCTSD
SCHEMBL11568495 0.79 BACE1 (0.52) BACE1BACE2
SCHEMBL11569823 0.79 BACE1 (0.52) BACE1BACE2
SCHEMBL11568958 0.78 LTA4H (0.52) BACE1ERAP2ERAP1LNPEP

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
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed