SCHEMBL25639947

SCHEMBL25639947

CCCCCC(=O)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(CCN)NC1=O)C(C)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.70
▸ RCOR1 Q9UKL0 2/20 0.70
▸ PSMB5 P28074 7/20 0.39
▸ PSMB2 P49721 6/20 0.39
▸ TERF2IP Q9NYB0 8/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD3 Q99594 1/20 0.38

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
SCHEMBL21473990 0.90 KDM1A (0.86) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL21504100 0.89 KDM1A (0.70) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL21473992 0.89 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL21474047 0.89 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL21473991 0.88 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL21504353 0.88 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386844 0.88 KDM1A (0.71) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL19386940 0.88 KDM1A (0.65) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386874 0.88 KDM1A (0.65) KDM1ARCOR1PSMB5PSMB2TERF2IP
SCHEMBL19386878 0.87 KDM1A (0.61) KDM1ARCOR1TERF2IPTEAD4TEAD3

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
EP-3556769-B1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF INST MED BIOTECHNOLOGY CAMS (CN) 2023-06-14 — — EP disclosed
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