SCHEMBL6033828

SCHEMBL6033828

O=S(=O)(O)CCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 11/20 0.54
AKR1C3 P42330 1/20 0.51
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL6410263 0.84 CYP4F2 (0.65) FFAR1
SCHEMBL29001431 0.84 MGLL (0.58) FDFT1AKR1C3FFAR1
SCHEMBL30338668 0.84 MGLL (0.58) FDFT1AKR1C3FFAR1
SCHEMBL15895227 0.82 TAAR1 (0.57) AKR1C3
SCHEMBL248501 0.78 CA2 (0.53) FFAR1
SCHEMBL1573203 0.78 KDM4E (0.43) FFAR1
SCHEMBL2347947 0.78 CYP4F2 (0.69) FDFT1FFAR1FFAR4
SCHEMBL1205673 0.77 FFAR1 (0.74) FDFT1FFAR1FFAR4
SCHEMBL7332614 0.77 FFAR1 (0.62) FDFT1AKR1C3FFAR1FFAR4
Ammonia Solution, Strong SCHEMBL31358922 0.77 CA2 (0.52) FFAR1

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
CN-114105837-B Synthesis and application of alkenyl sulfonyl-containing molecules 中国科学院上海有机化学研究所 2023-05-12 CN disclosed
EP-1635909-A2 TREATMENT OF AMYLOID- AND EPILEPTOGENESIS-ASSOCIATED DISEASES Neurochem (International) Limited (CH) 2006-03-22 EP disclosed
WO-2005000406-A2 TREATMENT OF AMYLOID- AND EPILEPTOGENESIS-ASSOCIATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-01-06 WO disclosed