SCHEMBL7993286

SCHEMBL7993286

CC1(C)OC(=O)C(C(=O)C2CC2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1403152 0.92 BACE1 (0.40) BACE1MAPTSMN1; SMN2GAANPSR1
SCHEMBL1403176 0.92 BACE1 (0.40) BACE1MAPTSMN1; SMN2GAA
SCHEMBL7992161 0.91 BACE1 (0.39) BACE1MAPTSMN1; SMN2GAANPSR1
SCHEMBL695478 0.89 BACE1 (0.38) BACE1
SCHEMBL16701732 0.88 GABRA1 (0.38) BACE1
SCHEMBL16197279 0.84 MAPT (0.37) BACE1MAPTSMN1; SMN2GAA
SCHEMBL16701535 0.82 BACE1 (0.37) BACE1MAPTSMN1; SMN2GAA
SCHEMBL1018668 0.82 BACE1 (0.41) BACE1
SCHEMBL20564470 0.81 DEGS1 (0.43) BACE1MAPTSMN1; SMN2
SCHEMBL1014697 0.80 BACE1 (0.38) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402436-B Tertiary amino acid derivative, preparation method and application thereof 安徽农业大学 2024-07-12 CN disclosed
CN-113582904-B 5-n-propyl-4-hydroxypyrrole-2-ketone derivative and preparation method and application thereof 安徽农业大学 2023-03-10 CN disclosed
CN-113582904-A 5-n-propyl-4-hydroxypyrrole-2-ketone derivative and preparation method and application thereof 安徽农业大学 2021-11-02 CN disclosed
CN-113402436-A Trolamine derivatives, preparation method and application thereof 安徽农业大学 2021-09-17 CN disclosed
CN-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN disclosed
WO-2001017977-A1 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-03-15 WO disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP disclosed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed