SCHEMBL20040343

SCHEMBL20040343

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL20040297 0.92 KMT2A (0.41) KMT2AKDM4EMAPTHTTGAA
SCHEMBL20040349 0.88 KMT2A (0.35) KMT2AKDM4EMAPTHTTGAA
SCHEMBL20040345 0.85 KMT2A (0.38) KMT2AKDM4EMAPTHTTGAA
SCHEMBL20040445 0.82 KMT2A (0.52) KMT2AKDM4EMAPTHTTGAA
SCHEMBL20040323 0.81 KMT2A (0.36) KMT2AMAPTMEN1MGLL
SCHEMBL15006373 0.77 KMT2A (0.40) KMT2AKDM4EMAPTHTTGAA
SCHEMBL11921747 0.76 PRSS1 (0.37) GAAALDH1A1
SCHEMBL11926959 0.75 FOLH1 (0.44) KMT2AKDM4EMAPTHTTNPC1
SCHEMBL20040348 0.74 KMT2A (0.34) KMT2AKDM4EMAPTHTT
SCHEMBL16270247 0.72 RAB9A (0.47) KMT2AMAPTGAANPC1RAB9A

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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