SCHEMBL8258073

SCHEMBL8258073

CC(C)C1NC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC=O)C(C)OC1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.72
▸ DRD1 P21728 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ ITGB3 P05106 5/20 0.41
▸ ITGB1 P05556 5/20 0.41
▸ ITGAV P06756 5/20 0.41
▸ ITGA5 P08648 5/20 0.41
▸ ITGB6 P18564 5/20 0.41
▸ ITGB8 P26012 5/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ F2 P00734 1/20 0.39
▸ NECTIN4 Q96NY8 3/20 0.39
▸ SSTR1 P30872 2/20 0.39
▸ SSTR2 P30874 2/20 0.39
▸ SSTR4 P31391 2/20 0.39
▸ SSTR3 P32745 2/20 0.39
▸ SSTR5 P35346 2/20 0.39
▸ IL23R Q5VWK5 1/20 0.39

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
SCHEMBL8252755 0.99 CTSL (0.71) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8256875 0.92 CTSL (0.68) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14446065 0.92 CTSL (0.86) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14446360 0.92 CTSL (0.86) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14446808 0.92 CTSL (0.86) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14274597 0.91 CTSL (0.79) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14274733 0.91 CTSL (0.84) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14274734 0.91 CTSL (0.78) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14274595 0.90 CTSL (0.79) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8259896 0.90 CTSL (0.77) CTSLDRD1PTGS1PDE4AEPHA2

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
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 — — WO disclosed
Send feedback