SCHEMBL19386986

SCHEMBL19386986

CCCC(C)OC(=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 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.81
▸ RCOR1 Q9UKL0 2/20 0.81
▸ TERF2IP Q9NYB0 2/20 0.40
▸ LDHB P07195 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ PSMB5 P28074 3/20 0.38
▸ PSMB2 P49721 2/20 0.38
▸ SSTR2 P30874 4/20 0.38
▸ SSTR4 P31391 3/20 0.38
▸ SSTR5 P35346 3/20 0.38
▸ SSTR1 P30872 2/20 0.38
▸ SSTR3 P32745 2/20 0.38
▸ TERF2 Q15554 2/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37

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
SCHEMBL19386975 1.00 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882148 1.00 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882235 1.00 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386868 1.00 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386977 0.97 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386984 0.97 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882145 0.96 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17860734 0.94 KDM1A (0.78) KDM1ARCOR1TERF2IPLDHBTERF2
SCHEMBL19386849 0.94 KDM1A (0.78) KDM1ARCOR1TERF2IPLDHBTERF2
SCHEMBL19386873 0.94 KDM1A (0.72) 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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