SCHEMBL20040348

SCHEMBL20040348

O=C=Nc1ccc(OC(=O)COCCOC(=O)C(CCCCNC(=O)COCCOC(=O)c2ccc(N=C=O)cc2)NC(=O)COCCOC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ ALB P02768 8/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GLP1R P43220 5/20 0.31
▸ C3AR1 Q16581 1/20 0.31

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
SCHEMBL20040345 0.89 KMT2A (0.38) KMT2AKDM4EMAPTHTT
SCHEMBL20040349 0.86 KMT2A (0.35) KMT2AKDM4EMAPTHTTGLP1R
SCHEMBL11925961 0.85 TMPRSS15 (0.35) —
SCHEMBL15006373 0.85 KMT2A (0.40) KMT2AKDM4EMAPTHTT
SCHEMBL20040326 0.83 MEN1 (0.36) KMT2AALBMAPT
SCHEMBL16270517 0.81 PRSS1 (0.39) KMT2AMAPT
SCHEMBL11921762 0.80 PRSS1 (0.34) —
SCHEMBL15259408 0.79 TMPRSS15 (0.33) MAPT
SCHEMBL15259411 0.78 ALB (0.42) KMT2AALBKDM4EMAPTHTT
SCHEMBL11921765 0.78 MAPT (0.32) MAPT

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-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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