SCHEMBL9067940

SCHEMBL9067940

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.32
MMP3 P08254 3/20 0.32
PSEN1 P49768 4/20 0.31
PSEN2 P49810 4/20 0.31
APH1B Q8WW43 4/20 0.31
NCSTN Q92542 4/20 0.31
APH1A Q96BI3 4/20 0.31
PSENEN Q9NZ42 4/20 0.31
BACE1 P56817 3/20 0.31
CTSD P07339 2/20 0.31
CTSE P14091 2/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MMP13 P45452 1/20 0.30

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
SCHEMBL9073693 0.95 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9069940 0.86 CTSK (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9068424 0.85 MMP1 (0.39) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL9070551 0.85 MMP1 (0.34) MMP1MMP3BACE1CTSDCTSE
SCHEMBL8708141 0.78 ALDH1A1 (0.36) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL9067752 0.78 MMP3 (0.35) MMP3PSEN1PSEN2APH1BNCSTN
SCHEMBL8710905 0.76 MMP1 (0.35) MMP1MMP3BACE1CTSDCTSE
SCHEMBL8713431 0.67 MMP1 (0.44) MMP1MMP3MMP2MMP7MMP9
SCHEMBL9068717 0.66 HPGD (0.33) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL19961863 0.66 SMN1; SMN2 (0.48) MMP8

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-5525591-A HUMAN OR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed