SCHEMBL31584367

SCHEMBL31584367

CC(C)(C)OC(=O)CCCn1ccnc(I)c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 13/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FPR2 P25090 4/20 0.34
▸ DUT P33316 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL31584352 0.85 FPR2 (0.41) TNFFPR2DUTCNR2
SCHEMBL10916000 0.80 MAPK13 (0.37) TNFKDM4EALDH1A1FPR2DUT
SCHEMBL31584536 0.78 TNF (0.43) TNFKDM4EALDH1A1DUTCNR2
SCHEMBL2633151 0.72 KMT2A (0.50) KDM4EALDH1A1FPR2
SCHEMBL25095623 0.69 KDM4E (0.34) TNFKDM4EALDH1A1
SCHEMBL2627811 0.69 SMN1; SMN2 (0.63) FPR2
SCHEMBL4235144 0.69 SMN1; SMN2 (0.37) KDM4EALDH1A1FPR2
SCHEMBL31584986 0.68 KDM4E (0.39) TNFKDM4EALDH1A1
SCHEMBL24542867 0.67 TNF (0.58) TNF
SCHEMBL25395276 0.67 CNR2 (0.37) TNFALDH1A1DUTCNR2

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
WO-2025106863-A1 LACTAM DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-05-22 — — WO disclosed
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