SCHEMBL20040349

SCHEMBL20040349

N#COc1ccc(OC(=O)COCCOC(=O)C(CCCCNC(=O)COCCOC(=O)c2ccc(OC#N)cc2)NC(=O)COCCOC(=O)c2ccc(OC#N)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ GLP1R P43220 5/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MGLL Q99685 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
SCHEMBL20040343 0.88 KMT2A (0.39) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL20040348 0.86 KMT2A (0.34) KMT2AKDM4EMAPTHTTGLP1R
SCHEMBL20040297 0.84 KMT2A (0.41) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL20040323 0.83 KMT2A (0.36) KMT2AMAPTMEN1GLP1RMGLL
SCHEMBL11921762 0.78 PRSS1 (0.34) —
SCHEMBL16270221 0.75 GAA (0.42) KMT2AMAPTMEN1LMNAGAA
SCHEMBL16270245 0.75 GAA (0.42) KMT2AMAPTMEN1LMNAGAA
SCHEMBL20040445 0.74 KMT2A (0.52) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL20040345 0.74 KMT2A (0.38) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL11921765 0.73 MAPT (0.32) MAPTGAA

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
Send feedback