SCHEMBL21504396

SCHEMBL21504396

CC[C@H](C)CCCCC(=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 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.90
▸ RCOR1 Q9UKL0 2/20 0.90
▸ SSTR2 P30874 6/20 0.43
▸ SSTR4 P31391 6/20 0.43
▸ SSTR5 P35346 5/20 0.43
▸ SSTR1 P30872 2/20 0.43
▸ SSTR3 P32745 2/20 0.43
▸ TERF2IP Q9NYB0 6/20 0.42
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ LDHB P07195 1/20 0.39

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
SCHEMBL21474130 1.00 KDM1A (0.90) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21504327 0.98 KDM1A (0.94) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21474069 0.98 KDM1A (0.94) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21504400 0.98 KDM1A (0.94) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL25641454 0.96 KDM1A (0.91) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL7800281 0.96 KDM1A (0.91) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21476966 0.96 KDM1A (0.91) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL29613813 0.96 KDM1A (0.91) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL23626629 0.95 KDM1A (1.00) KDM1ARCOR1SSTR2SSTR4SSTR5
SCHEMBL21991628 0.95 KDM1A (1.00) KDM1ARCOR1SSTR2SSTR4SSTR5

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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