SCHEMBL19386849

SCHEMBL19386849

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](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.78
▸ RCOR1 Q9UKL0 3/20 0.71
▸ LDHB P07195 4/20 0.38
▸ TERF2IP Q9NYB0 2/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KEAP1 Q14145 2/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ NPY4R P50391 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ TERF2 Q15554 2/20 0.33
▸ F11 P03951 2/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL17860734 1.00 KDM1A (0.78) KDM1ARCOR1LDHBTERF2IPESR1
SCHEMBL17882148 0.94 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IPNPY1R
SCHEMBL19386868 0.94 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IPNPY1R
SCHEMBL17882235 0.94 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IPNPY1R
SCHEMBL19386986 0.94 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IPNPY1R
SCHEMBL19386975 0.94 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IPNPY1R
SCHEMBL19386984 0.91 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IP
SCHEMBL19386977 0.91 KDM1A (0.81) KDM1ARCOR1LDHBTERF2IP
SCHEMBL21476984 0.90 KDM1A (0.88) KDM1ARCOR1LDHBTERF2IPESR1
SCHEMBL21504360 0.90 KDM1A (0.88) KDM1ARCOR1LDHBTERF2IPESR1

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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