SCHEMBL19386887

SCHEMBL19386887

CCC(C)OC(=O)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 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.80
▸ RCOR1 Q9UKL0 2/20 0.80
▸ TERF2 Q15554 1/20 0.41
▸ LDHB P07195 3/20 0.40
▸ TERF2IP Q9NYB0 4/20 0.40
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ SSTR2 P30874 3/20 0.37
▸ SSTR4 P31391 2/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ HKDC1 Q2TB90 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
SCHEMBL17860816 1.00 KDM1A (0.80) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL19386923 0.96 KDM1A (0.79) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL17882119 0.96 KDM1A (0.79) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL19386821 0.93 KDM1A (0.80) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL17882111 0.93 KDM1A (0.80) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL19386823 0.93 KDM1A (0.71) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL17860818 0.91 KDM1A (0.77) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL19386911 0.91 KDM1A (0.77) KDM1ARCOR1TERF2LDHBTERF2IP
Polymyxin B6 SCHEMBL21504359 0.90 KDM1A (0.86) KDM1ARCOR1TERF2LDHBTERF2IP
SCHEMBL21335108 0.89 KDM1A (0.82) KDM1ARCOR1TERF2LDHBTERF2IP

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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