SCHEMBL6425510

SCHEMBL6425510

CC1CC(C)CC2(C1)C(C#N)C(=O)NC(=O)C2C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRBN Q96SW2 1/20 0.30

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
SCHEMBL6425505 1.00 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL6378618 1.00 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL13082552 0.73 ALDH1A1 (0.43) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL8423510 0.72 ALDH1A1 (0.42) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL19112477 0.71 ALDH1A1 (0.44) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL7708743 0.69 ALDH1A1 (0.35) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL8776159 0.68 ALDH1A1 (0.41) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL9356254 0.66 ALDH1A1 (0.39) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL5856784 0.65 CYP2C9 (0.37) ALDH1A1GAAMAPK1
SCHEMBL31611892 0.63 ALDH1A1 (0.38) ALDH1A1GAALMNAMAPK1SMN1; SMN2

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