SCHEMBL8745832

SCHEMBL8745832

CCCCCCCCCCCCC(O)C1=CC(=O)OC1(C)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.37
TOP1 P11387 3/20 0.36
PDCD4 Q53EL6 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
PTPN1 P18031 3/20 0.35
ACP1 P24666 2/20 0.35
CDC25B P30305 2/20 0.35

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
SCHEMBL8752822 0.84 DAGLA (0.36) DAGLATOP1PDCD4GPR84FFAR1
SCHEMBL8985019 0.73 ACHE (0.41) GPR84PTPN1ACP1CDC25B
SCHEMBL4184971 0.69 ESR1 (0.38) TOP1GPR84FFAR1
SCHEMBL7296440 0.66 PDCD4 (0.41) DAGLAPDCD4GPR84FFAR1
SCHEMBL23322273 0.65 PDCD4 (0.35) DAGLATOP1PDCD4GPR84FFAR1
SCHEMBL27904917 0.65 ACHE (0.50) TOP1GPR84FFAR1
SCHEMBL7296014 0.65 PDCD4 (0.47) DAGLATOP1PDCD4CDC25B
Maleic Anhydride SCHEMBL28269440 0.64 PDCD4 (0.43) DAGLATOP1PDCD4GPR84FFAR1
SCHEMBL27460058 0.59 LMNA (0.52) GPR84FFAR1
SCHEMBL9840524 0.57 GPR84 (0.50) GPR84FFAR1

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-0755389-A1 3 AND 5 ALKYL AND PHENYL 4-(HYDROXY OR ACYLOXY)-ALKYL SUBSTITUTED 2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS Allergan (US) 1997-01-29 EP disclosed
WO-1995028394-A1 3 AND 5 ALKYL AND PHENYL 4-(HYDROXY OR ACYLOXY)-ALKYL SUBSTITUTED 2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN (US) 1995-10-26 WO disclosed
US-5451686-A 3 and 5 alkyl and phenyl 4-(hydroxy or acyloxy)-alkyl substituted 2(5H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1995-09-19 US disclosed