SCHEMBL8252727

SCHEMBL8252727

CCCCCCCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)OC1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.76
DRD1 P21728 1/20 0.76
PTGS1 P23219 1/20 0.76
PDE4A P27815 1/20 0.76
KEAP1 Q14145 2/20 0.42
NECTIN4 Q96NY8 4/20 0.40
KCNMA1 Q12791 1/20 0.40
KCNMB4 Q86W47 1/20 0.40
EPHA2 P29317 2/20 0.40
F2 P00734 1/20 0.40
SHH Q15465 1/20 0.39
F11 P03951 1/20 0.39
TSLP Q969D9 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
IL23R Q5VWK5 2/20 0.38
NPR1 P16066 1/20 0.38
NPR3 P17342 1/20 0.38
SSTR2 P30874 1/20 0.38
OXTR P30559 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
SCHEMBL8256936 0.97 CTSL (0.71) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8235984 0.95 CTSL (0.84) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14300849 0.94 CTSL (0.77) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274582 0.94 CTSL (0.78) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260309 0.93 CTSL (0.73) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260169 0.93 CTSL (0.86) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14177511 0.93 CTSL (0.86) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274576 0.93 CTSL (0.78) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274580 0.93 CTSL (0.78) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274907 0.93 CTSL (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 WO disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed