SCHEMBL25640905

SCHEMBL25640905

CCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NC(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]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.87
▸ RCOR1 Q9UKL0 2/20 0.79
▸ LDHB P07195 4/20 0.42
▸ NOD1 Q9Y239 1/20 0.39
▸ TERF2IP Q9NYB0 2/20 0.38
▸ PSMB5 P28074 5/20 0.38
▸ PSMB2 P49721 3/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 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
SCHEMBL21504388 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21474090 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21504387 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21476957 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21474141 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21504365 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21474098 1.00 KDM1A (0.87) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21474091 0.99 KDM1A (0.88) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21504360 0.99 KDM1A (0.88) KDM1ARCOR1LDHBNOD1TERF2IP
SCHEMBL21476984 0.99 KDM1A (0.88) KDM1ARCOR1LDHBNOD1TERF2IP

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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