SCHEMBL19386940

SCHEMBL19386940

CCC[C@H](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](CCCN)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 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.65
▸ RCOR1 Q9UKL0 2/20 0.65
▸ TERF2IP Q9NYB0 11/20 0.38
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD3 Q99594 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ TERF2 Q15554 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
SCHEMBL19386874 0.96 KDM1A (0.65) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386975 0.88 KDM1A (0.81) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL17882148 0.88 KDM1A (0.81) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL17882235 0.88 KDM1A (0.81) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386986 0.88 KDM1A (0.81) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386868 0.88 KDM1A (0.81) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL25639947 0.88 KDM1A (0.70) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386984 0.86 KDM1A (0.81) KDM1ARCOR1TERF2IPPSMB5PSMB2
SCHEMBL19386977 0.86 KDM1A (0.81) KDM1ARCOR1TERF2IPPSMB5PSMB2
SCHEMBL19386873 0.85 KDM1A (0.72) KDM1ARCOR1TERF2IPPSMB5PSMB2

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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