SCHEMBL9637635

SCHEMBL9637635

CSC(SC)=C1C(=O)COC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.43
TYR P14679 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PARP1 P09874 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
SCHEMBL17147756 0.75 DUSP3 (0.47) DUSP3TYRALDH1A1ALOX12
SCHEMBL9638587 0.67 ALDH1A1 (0.40) KDM4EALDH1A1MAOB
SCHEMBL702562 0.66
SCHEMBL27168868 0.65 TRIM24 (0.30) KDM4EALDH1A1
SCHEMBL6793523 0.65 ALDH1A1 (0.33) KDM4EALDH1A1MAOAMAOB
SCHEMBL14194458 0.63 ALDH1A1 (0.48) DUSP3ALDH1A1MAOAMAOB
SCHEMBL6481220 0.59 CDC25B (0.54) KDM4EALDH1A1ALOX12MAOA
SCHEMBL28165669 0.58
Methyl Alcohol SCHEMBL28318378 0.56 MAOA (0.87) KDM4EALDH1A1ALOX12MAOAMAOB
SCHEMBL13934162 0.56

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
US-5153218-A N,N',N'-trisubstituted-bis-amino-3-methylene-2,4(3H,5H)-furandione inhibitors of acyl-CoA:cholesterol-acyl transferase AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-06 US disclosed