SCHEMBL9067752

SCHEMBL9067752

CCN[C@@H](CC(C)C)C(=O)N(CC)[C@@H](CC(C)CCC(C)O)C(=O)C(Cc1ccccc1)(OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.35
CTSK P43235 7/20 0.33
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSB P07858 1/20 0.31
REN P00797 3/20 0.31
MAPK1 P28482 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL9069940 0.83 CTSK (0.34) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL9067940 0.78 MMP1 (0.32) MMP3CTSKPSEN1PSEN2APH1B
SCHEMBL9073693 0.74 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9068424 0.70 MMP1 (0.39) MMP3CTSKPSEN1PSEN2APH1B
SCHEMBL19961863 0.65 SMN1; SMN2 (0.48) MAPK1
SCHEMBL9068586 0.64 MMP1 (0.32) MMP3CTSL
SCHEMBL9070551 0.62 MMP1 (0.34) MMP3CTSLCTSD
SCHEMBL7475849 0.61 BACE1 (0.37) MMP3CTSD
SCHEMBL21602301 0.60 LMNA (0.44) CTSKCTSS
SCHEMBL20333385 0.60 MMP8 (0.56)

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-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed