SCHEMBL8550832

SCHEMBL8550832

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SIRT1 Q96EB6 9/20 0.44
SIRT5 Q9NXA8 6/20 0.44
SIRT2 Q8IXJ6 10/20 0.43
PTGER4 P35408 1/20 0.43
SIRT3 Q9NTG7 3/20 0.42

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
SCHEMBL7541299 0.91 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL24709914 0.89 PTGER4 (0.44) MEN1KMT2ASIRT1SIRT5SIRT2
SCHEMBL7740151 0.88 KDM4E (0.59) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL29357392 0.88 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL4727432 0.88 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL4076285 0.88 SIRT2 (0.49) SIRT1SIRT5SIRT2SIRT3
SCHEMBL7934318 0.86 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL10727549 0.86 SIRT2 (0.50) KDM4EALDH1A1HPGDSIRT1SIRT5
Hydrochloric Acid SCHEMBL380911 0.86 SIRT2 (0.49) KDM4EALDH1A1HPGDSIRT1SIRT5
SCHEMBL1842451 0.85 SIRT2 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 1998-09-16 EP disclosed
EP-0863883-A4 1998-09-16 EP disclosed