SCHEMBL19386838

SCHEMBL19386838

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.83
▸ RCOR1 Q9UKL0 2/20 0.83
▸ PSMB5 P28074 11/20 0.41
▸ PSMB2 P49721 7/20 0.41
▸ TERF2IP Q9NYB0 2/20 0.40
▸ LDHB P07195 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 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
SCHEMBL17882113 1.00 KDM1A (0.83) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386821 0.94 KDM1A (0.80) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL17882111 0.94 KDM1A (0.80) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386977 0.94 KDM1A (0.81) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386984 0.94 KDM1A (0.81) KDM1ARCOR1PSMB5PSMB2TERF2IP
Polymyxin B5 SCHEMBL21258460 0.93 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B3 SCHEMBL21474115 0.93 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B4 SCHEMBL21476967 0.93 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
SCHEMBL19386868 0.92 KDM1A (0.81) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386975 0.92 KDM1A (0.81) KDM1ARCOR1PSMB5PSMB2TERF2IP

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-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 — — US disclosed
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