SCHEMBL31584986

SCHEMBL31584986

CC(C)(C)OC(=O)CCCn1nccc(Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KAT2B Q92831 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9827518 0.75 ALDH1A1 (0.57) ALDH1A1NPC1MITFHTTSMN1; SMN2
SCHEMBL27524456 0.74 TSHR (0.35) KDM4EMAPK1ALDH1A1NPC1MITF
SCHEMBL31584352 0.73 FPR2 (0.41) TNF
SCHEMBL31487688 0.69 HDAC8 (0.32) KDM4EALDH1A1HDAC8
SCHEMBL22787170 0.68 TNF (0.30) KDM4ETNF
SCHEMBL31487600 0.68 HDAC8 (0.33) KDM4EALDH1A1KAT2BHDAC8
SCHEMBL31584367 0.68 TNF (0.37) KDM4EALDH1A1TNF
SCHEMBL25342529 0.67 NLRP3 (0.47) KDM4EMAPK1ALDH1A1NPC1MITF
SCHEMBL12638925 0.67 KMT2A (0.61) MAPK1ALDH1A1HSD17B10HDAC8KMT2A
SCHEMBL23971227 0.67 FLT1 (0.35) MAPK1ALDH1A1NPC1HTTSMN1; SMN2

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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