SCHEMBL21504369

SCHEMBL21504369

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

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.82
▸ RCOR1 Q9UKL0 2/20 0.82
▸ SSTR2 P30874 5/20 0.45
▸ SSTR4 P31391 5/20 0.45
▸ SSTR5 P35346 4/20 0.45
▸ SSTR1 P30872 2/20 0.45
▸ SSTR3 P32745 2/20 0.45
▸ PSMB5 P28074 10/20 0.45
▸ PSMB2 P49721 7/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL21474138 1.00 KDM1A (0.82) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL25644877 1.00 KDM1A (0.82) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21474140 1.00 KDM1A (0.82) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21474144 0.99 KDM1A (0.80) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL25645022 0.99 KDM1A (0.80) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21476980 0.99 KDM1A (0.80) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21474145 0.99 KDM1A (0.80) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21474147 0.98 KDM1A (0.81) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21504398 0.98 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21504380 0.98 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1

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 2 patents. 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
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
Send feedback