SCHEMBL19386878

SCHEMBL19386878

CCCCCCC1OC(=O)C1C(=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 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.61
RCOR1 Q9UKL0 2/20 0.61
TERF2IP Q9NYB0 12/20 0.38
LDHB P07195 2/20 0.37
TEAD4 Q15561 1/20 0.36
TEAD3 Q99594 1/20 0.36
SSTR1 P30872 2/20 0.35
SSTR2 P30874 2/20 0.35
SSTR4 P31391 2/20 0.35
SSTR3 P32745 2/20 0.35
SSTR5 P35346 2/20 0.35

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
SCHEMBL17882098 0.91 KDM1A (0.75) KDM1ARCOR1TERF2IPLDHBSSTR1
SCHEMBL25639947 0.87 KDM1A (0.70) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386844 0.82 KDM1A (0.71) KDM1ARCOR1TERF2IPLDHBTEAD4
SCHEMBL19386877 0.82 KDM1A (0.62) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386874 0.82 KDM1A (0.65) KDM1ARCOR1TERF2IPLDHBTEAD4
SCHEMBL19386940 0.82 KDM1A (0.65) KDM1ARCOR1TERF2IPLDHBTEAD4
SCHEMBL17882097 0.81 KDM1A (0.60) KDM1ARCOR1TERF2IPLDHBSSTR1
SCHEMBL21258440 0.80 KDM1A (0.82) KDM1ARCOR1TERF2IPLDHBTEAD4
SCHEMBL21335143 0.80 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBSSTR1
SCHEMBL16426327 0.80 KDM1A (0.81) KDM1ARCOR1TERF2IPLDHBSSTR1

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