SCHEMBL4597376

SCHEMBL4597376

CC(C)C[C@H](C(=O)O)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 6/20 0.39
ALDH1A1 P00352 1/20 0.36
BCL2 P10415 5/20 0.36
BCL2L2 Q92843 5/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL4597413 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MCL1ALDH1A1BCL2BCL2L2
SCHEMBL4597380 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MCL1ALDH1A1BCL2BCL2L2
SCHEMBL14430803 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4596857 0.79 KMT2A (0.44) SMN1; SMN2MCL1BCL2BCL2L2LMNA
SCHEMBL4596853 0.79 KMT2A (0.44) SMN1; SMN2MCL1BCL2BCL2L2LMNA
SCHEMBL4596864 0.79 KMT2A (0.44) SMN1; SMN2MCL1BCL2BCL2L2LMNA
SCHEMBL4597416 0.78
SCHEMBL4595583 0.78
SCHEMBL4596916 0.77 ALDH1A1 (0.52) SMN1; SMN2MCL1ALDH1A1LMNAGAA
SCHEMBL4597279 0.77 ALDH1A1 (0.52) SMN1; SMN2MCL1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506177-B1 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-01-16 EP disclosed
US-6908752-B2 Process for the preparation of the enant iomeric forms of 2-substituted 2- (2, 5-dioxoimidazolidin-1yl) -acetic acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-21 US disclosed
EP-1506177-A2 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2005-02-16 EP disclosed
US-20030054507-A1 Process for the preparation of the enant iomeric forms of 2-substituted 2- (2, 5-dioxoimidazolidin-1-yl) -acetic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
WO-2003008386-A2 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-30 WO disclosed