SCHEMBL6376451

SCHEMBL6376451

CCOC(=O)C(C#N)=C1C[C@@H](C)C[C@@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.42
MAPK1 P28482 4/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
CYP2C9 P11712 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6376449 1.00 MAPT (0.50) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5429358 0.87 MAPT (0.53) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5429355 0.87 MAPT (0.53) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909602 0.85 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909621 0.85 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909599 0.85 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909604 0.85 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14559639 0.83 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8344833 0.83 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6374894 0.82 ALDH1A1 (0.47) MAPTKMT2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157000-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER LAMBERT CO (US) 2005-11-02 EP disclosed
EP-1157000-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-11-28 EP disclosed
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO disclosed