SCHEMBL9727963

SCHEMBL9727963

COc1cccc(C2=CC(=O)OC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MAOB P27338 2/20 0.49
GAA P10253 1/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
BRD4 O60885 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL28697530 0.80 BACE1 (0.60) HDAC4HDAC8MAOBSMN1; SMN2HPGD
SCHEMBL1471565 0.78 MAPT (0.46) MAOBNOTUMSMN1; SMN2HPGDKDM4E
SCHEMBL9850097 0.77 NCOA1 (0.48) HDAC4HDAC8MAOBGAANOTUM
SCHEMBL25835140 0.76 KDM4E (0.64) HDAC4HDAC8MAOBGAANOTUM
SCHEMBL29489425 0.74 CYP3A4 (0.73) HDAC4HDAC8MAOBGAANOTUM
SCHEMBL196765 0.74 CYP3A4 (0.73) HDAC4HDAC8MAOBGAANOTUM
SCHEMBL29242287 0.74 KMO (0.42) HDAC4HDAC8NOTUMSMN1; SMN2ALDH1A1
SCHEMBL3671037 0.73 GAA (0.50) HDAC4HDAC8GAANOTUMKDM4E
SCHEMBL1471693 0.73 GABRP (0.45) MAOBSMN1; SMN2CYP3A4ALDH1A1MAPK1
SCHEMBL3023333 0.73 GABRP (0.45) NOTUMSMN1; SMN2BRD4TP53NPC1

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
US-5140013-A Shelf life; polymerization inhibition; nontoxic; side effects reduction UNIVERSITE LAVAL (CA) 1992-08-18 US disclosed
WO-1991008775-A2 MALEIC ANHYDRIDE DERIVATIVES USED AS CONJUGATION AGENTS OF ANTI-TUMOR AGENTS ON DESIRED CARRIERS UNIVERSITE LAVAL (CA) 1991-06-27 WO disclosed