SCHEMBL92821

SCHEMBL92821

CCCCCCCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.54
MMP8 P22894 4/20 0.54
MMP1 P03956 2/20 0.54
ERBB2 P04626 1/20 0.52
IL23R Q5VWK5 1/20 0.50
CCKBR P32239 4/20 0.49
CCKAR P32238 1/20 0.49
OPRD1 P41143 1/20 0.49
MMP9 P14780 2/20 0.49
KISS1R Q969F8 9/20 0.49
MAGI3 Q5TCQ9 1/20 0.48
MMP7 P09237 1/20 0.47

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
SCHEMBL10157514 0.91 CCKBR (0.54) ERBB2IL23RCCKBRCCKAROPRD1
SCHEMBL8357061 0.85 ACE (0.60) MMP2MMP8MMP1MMP9MMP7
SCHEMBL8227196 0.84 CCKAR (0.56) ERBB2CCKBRCCKAROPRD1KISS1R
SCHEMBL8354772 0.84 MMP2 (0.59) MMP2MMP8MMP1MMP9MMP7
SCHEMBL8358360 0.84 MMP2 (0.59) MMP2MMP8MMP1MMP9MMP7
SCHEMBL8357549 0.83 MMP8 (0.57) MMP2MMP8MMP1MMP9MMP7
SCHEMBL14186805 0.82 MMP2 (0.62) MMP2MMP8MMP1CCKBRCCKAR
SCHEMBL8242166 0.81 MMP2 (0.63) MMP2MMP8MMP1CCKBRCCKAR
SCHEMBL29549543 0.81 MAGI3 (0.56) ERBB2IL23ROPRD1KISS1RMAGI3
SCHEMBL8245264 0.79 MMP2 (0.58) MMP2MMP8MMP1CCKBRCCKAR

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-8129342-B2 High purity lipopeptides CUBIST PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110207658-A1 High Purity Lipopeptides CUBIST PHARMACEUTICALS LLC (CH) 2011-08-25 US disclosed