SCHEMBL10157516

SCHEMBL10157516

CC(=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(C(C)CC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.88
DRD1 P21728 1/20 0.88
PTGS1 P23219 1/20 0.88
PDE4A P27815 1/20 0.88
SHH Q15465 1/20 0.40
EPHA2 P29317 3/20 0.39
NECTIN4 Q96NY8 5/20 0.39
IL23R Q5VWK5 2/20 0.39
MDM2 Q00987 3/20 0.38
MDM4 O15151 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 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
SCHEMBL8415772 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL21250583 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8221832 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL14446856 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8415773 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8227154 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8420524 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8422213 1.00 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8420522 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8422141 0.96 CTSL (0.92) CTSLDRD1PTGS1PDE4ASHH

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 3 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-8058238-B2 High purity lipopeptides CUBIST PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20110207658-A1 High Purity Lipopeptides CUBIST PHARMACEUTICALS LLC (CH) 2011-08-25 US disclosed