Polymyxin B Nonapeptide

Polymyxin B Nonapeptide

SCHEMBL20108926

CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC(=O)C(NC(=O)[C@H](CCN)NC(=O)[C@@H](N)[C@@H](C)O)CCNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.77
▸ RCOR1 Q9UKL0 2/20 0.77
▸ SSTR5 P35346 6/20 0.43
▸ SSTR2 P30874 4/20 0.43
▸ SSTR4 P31391 4/20 0.43
▸ KEAP1 Q14145 1/20 0.41
▸ TERF2 Q15554 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ LDHB P07195 1/20 0.40

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
Polymyxin B Nonapeptide SCHEMBL25547777 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL21498184 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL17882149 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL29358904 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL19386845 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL25547809 0.95 KDM1A (0.71) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19545532 0.94 KDM1A (0.70) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL18165213 0.93 KDM1A (0.73) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL29360076 0.93 KDM1A (0.73) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19532558 0.92 KDM1A (0.76) KDM1ARCOR1SSTR5SSTR2SSTR4

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-20180120314-A1 FLUORESCENT POLYBRANCHED PROBES FOR DETECTING BACTERIA AND/OR FUNGI IN VITRO AND IN VIVO THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-03 — — US disclosed
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