SCHEMBL19386918

SCHEMBL19386918

CCCC(C)(C)C(=O)OCCC(=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(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 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.78
▸ RCOR1 Q9UKL0 2/20 0.78
▸ TERF2IP Q9NYB0 3/20 0.38
▸ LDHB P07195 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PSMB5 P28074 3/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ TERF2 Q15554 1/20 0.36
▸ SSTR5 P35346 3/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ SSTR2 P30874 2/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 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
SCHEMBL19386916 1.00 KDM1A (0.78) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386945 1.00 KDM1A (0.78) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882153 0.96 KDM1A (0.80) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386871 0.96 KDM1A (0.80) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882176 0.94 KDM1A (0.77) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386827 0.94 KDM1A (0.78) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386862 0.92 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882208 0.92 KDM1A (0.74) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL19386876 0.92 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBEGFR
SCHEMBL17882076 0.92 KDM1A (0.76) 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
Send feedback