SCHEMBL20366249

SCHEMBL20366249

C#CCOCCOCCOCCOCCNC(=O)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(N)=O)CC(=O)N[C@@H](CC(C)C)C(=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](CC)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](C)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.58
RCOR1 Q9UKL0 2/20 0.58
MDM2 Q00987 5/20 0.41
TERF2IP Q9NYB0 11/20 0.39

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
SCHEMBL20366314 0.90 KDM1A (0.63) KDM1ARCOR1TERF2IP
SCHEMBL25582809 0.81 KDM1A (0.67) KDM1ARCOR1MDM2TERF2IP
SCHEMBL26181706 0.80 KDM1A (0.78) KDM1ARCOR1TERF2IP
SCHEMBL25623302 0.80 KDM1A (0.65) KDM1ARCOR1MDM2TERF2IP
SCHEMBL20366298 0.79 KDM1A (0.51) KDM1ARCOR1MDM2TERF2IP
SCHEMBL25582813 0.79 KDM1A (0.65) KDM1ARCOR1MDM2TERF2IP
SCHEMBL25623330 0.78 KDM1A (0.64) KDM1ARCOR1MDM2TERF2IP
SCHEMBL25582829 0.78 KDM1A (0.61) KDM1ARCOR1MDM2TERF2IP
SCHEMBL26181836 0.77 KDM1A (0.68) KDM1ARCOR1TERF2IP
SCHEMBL25582804 0.77 KDM1A (0.66) KDM1ARCOR1TERF2IP

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