SCHEMBL19386908

SCHEMBL19386908

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)OC(=O)c2ccc(-c3ccccc3)cc2)C(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 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.74
▸ RCOR1 Q9UKL0 2/20 0.74
▸ SSTR5 P35346 7/20 0.38
▸ SSTR4 P31391 6/20 0.38
▸ SSTR2 P30874 5/20 0.38
▸ EGFR P00533 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LDHB P07195 1/20 0.36
▸ TERF2IP Q9NYB0 2/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ IDE P14735 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
SCHEMBL17882202 1.00 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL19386891 0.93 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL17882196 0.93 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL17882227 0.92 KDM1A (0.79) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL17882089 0.92 KDM1A (0.72) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL17882036 0.91 KDM1A (0.72) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL19386915 0.90 KDM1A (0.70) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL17882078 0.89 KDM1A (0.67) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL19386924 0.89 KDM1A (0.67) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL19386974 0.89 KDM1A (0.73) KDM1ARCOR1SSTR5SSTR4SSTR2

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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