SCHEMBL20366221

SCHEMBL20366221

C#CCOCCOCCOCCOCCC(=O)N[C@@H](CCN)C(=O)CCCC[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@H](O)CCCCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.67
RCOR1 Q9UKL0 2/20 0.67
HSP90AB1 P08238 1/20 0.39
PSMB5 P28074 14/20 0.38
PSMB2 P49721 9/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 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
SCHEMBL26181706 0.90 KDM1A (0.78) KDM1ARCOR1HSP90AB1PSMB5PSMB2
SCHEMBL22677516 0.85 KDM1A (0.82) KDM1ARCOR1PSMB5PSMB2
SCHEMBL22677537 0.85 KDM1A (0.82) KDM1ARCOR1PSMB5PSMB2
Polymyxin B3 SCHEMBL21474115 0.83 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B4 SCHEMBL21476967 0.83 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B5 SCHEMBL21258460 0.83 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
SCHEMBL21474067 0.83 KDM1A (0.80) KDM1ARCOR1PSMB5PSMB2SSTR1
SCHEMBL21258215 0.82 KDM1A (0.78) KDM1ARCOR1HSP90AB1PSMB5PSMB2
SCHEMBL21258418 0.82 KDM1A (0.81) KDM1ARCOR1PSMB5PSMB2KEAP1
SCHEMBL21476960 0.81 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2

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
WO-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed