SCHEMBL21504100

SCHEMBL21504100

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[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(Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(C)O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.70
▸ RCOR1 Q9UKL0 2/20 0.70
▸ PSMB5 P28074 8/20 0.40
▸ PSMB2 P49721 6/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ TERF2IP Q9NYB0 6/20 0.38
▸ TERF2 Q15554 1/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 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
SCHEMBL21473990 0.90 KDM1A (0.86) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21473992 0.90 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21474047 0.90 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL25639947 0.89 KDM1A (0.70) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21473991 0.89 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21504353 0.89 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B3 SCHEMBL21474115 0.86 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B5 SCHEMBL21258460 0.86 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B4 SCHEMBL21476967 0.86 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21474044 0.86 KDM1A (0.85) KDM1ARCOR1TERF2IPTERF2

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-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2019-10-23 — — EP disclosed
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