SCHEMBL31055704

SCHEMBL31055704

CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)N1CCC(O)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NLRP3 Q96P20 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL31055702 0.91 KCNT1 (0.41) GSTO1GAANLRP3
SCHEMBL26975375 0.89 NLRP3 (0.43) GAANLRP3
SCHEMBL31055732 0.88 NLRP3 (0.47) GSTO1GAANLRP3
SCHEMBL22460322 0.87 GAA (0.52) GSTO1GAANLRP3
SCHEMBL26975376 0.86 NLRP3 (0.51) NLRP3
SCHEMBL31055722 0.85 ACHE (0.41) GSTO1GAANLRP3
SCHEMBL31055720 0.85 GAA (0.39) GSTO1GAANLRP3
SCHEMBL31055694 0.84 MEN1 (0.39) GSTO1GAANLRP3
SCHEMBL22460158 0.83 GSTO1 (0.41) GSTO1GAANLRP3
SCHEMBL31055725 0.81 GSTO1 (0.39) GSTO1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 — — EP claimed
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