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SCHEMBL20952839

SCHEMBL20952839

CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)NC(CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=O)OC2CC/C=C/CCC2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.84
▸ DRD1 P21728 1/20 0.84
▸ PTGS1 P23219 1/20 0.84
▸ PDE4A P27815 1/20 0.84
▸ PRLHR P49683 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ BCL2A1 Q16548 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ RXFP4 Q8TDU9 1/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ EPHA2 P29317 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.36
▸ KCNMB4 Q86W47 1/20 0.36

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
SCHEMBL15581530 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL20952832 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL18677257 0.95 CTSL (0.81) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL18715956 0.95 CTSL (0.81) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL23059823 0.93 CTSL (0.82) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL8221933 0.93 CTSL (0.86) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL14564321 0.92 CTSL (0.91) CTSLDRD1PTGS1PDE4APRLHR
SCHEMBL8230311 0.92 CTSL (0.96) CTSLDRD1PTGS1PDE4APRLHR
Daptomycin SCHEMBL21402170 0.91 CTSL (1.00) CTSLDRD1PTGS1PDE4APRLHR
Daptomycin SCHEMBL1650768 0.91 CTSL (1.00) CTSLDRD1PTGS1PDE4APRLHR

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
US-10274490-B2 Magnetic labeling of bacteria THE GENERAL HOSPITAL CORPORATION (US) 2019-04-30 — — US disclosed
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