SCHEMBL8258548

SCHEMBL8258548

CCC(C)C1NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)CN(C)C(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc2c[nH]c3ccccc23)NC=O)C(C)OC1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ PDE4A P27815 1/20 0.58
▸ KEAP1 Q14145 2/20 0.44
▸ NECTIN4 Q96NY8 5/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ F11 P03951 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ IL23R Q5VWK5 3/20 0.39
▸ TSLP Q969D9 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL14301056 0.96 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260113 0.95 CTSL (0.64) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14300848 0.95 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260125 0.94 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301032 0.94 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274668 0.93 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274677 0.93 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14275196 0.93 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274667 0.93 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274902 0.91 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1

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