SCHEMBL9482802

SCHEMBL9482802

CC(OCN1C(=O)NC(=O)C(Cc2ccccc2)C1=O)C(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 3/20 0.34
CES2 O00748 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
POLB P06746 2/20 0.34
PAX8 Q06710 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7525758 0.90 EP300 (0.43) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL5831940 0.83 EP300 (0.43) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL5831471 0.79 EP300 (0.39) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL5831498 0.77 EP300 (0.43) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL7844009 0.75 EP300 (0.66) EP300ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18254504 0.74 EP300 (0.49) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL17717907 0.73 EP300 (0.48) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL17717901 0.72 EP300 (0.50) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL15978110 0.72 MMP1 (0.52) EP300ALDH1A1MAPTHTTKDM4E
SCHEMBL15978133 0.72 EP300 (0.47) EP300ALDH1A1MAPTHTTKDM4E

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-0526537-A1 5-BENZYL BARBITURATE DERIVATIVES. UNIV BROWN RES FOUND (US) 1993-02-10 EP claimed
WO-1991016315-A1 5-BENZYL BARBITURATE DERIVATIVES BROWN UNIVERSITY RESEARCH FOUNDATION (US) 1991-10-31 WO claimed