SCHEMBL19386911

SCHEMBL19386911

CCC(C)OC(=O)C(C)(C)CC(=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 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.77
▸ RCOR1 Q9UKL0 2/20 0.77
▸ TERF2IP Q9NYB0 5/20 0.39
▸ LDHB P07195 3/20 0.39
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD3 Q99594 1/20 0.36
▸ TERF2 Q15554 1/20 0.36
▸ SSTR2 P30874 2/20 0.36
▸ SSTR4 P31391 2/20 0.36
▸ SSTR5 P35346 2/20 0.36
▸ HKDC1 Q2TB90 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
SCHEMBL17860818 1.00 KDM1A (0.77) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386843 0.94 KDM1A (0.68) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882076 0.92 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386888 0.92 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17860816 0.91 KDM1A (0.80) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386887 0.91 KDM1A (0.80) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882121 0.91 KDM1A (0.63) KDM1ARCOR1TERF2IPLDHBNPY1R
SCHEMBL19386842 0.89 KDM1A (0.63) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17860821 0.89 KDM1A (0.77) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386923 0.89 KDM1A (0.79) KDM1ARCOR1TERF2IPLDHBEGFR

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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