SCHEMBL4475890

SCHEMBL4475890

O=C1C=CC(=O)C2COCC12

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 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
SCHEMBL9114168 0.67 KDM4E (0.36)
SCHEMBL10399375 0.67 ALDH1A1 (0.37)
SCHEMBL11283022 0.67 ALDH1A1 (0.37)
SCHEMBL9305271 0.67 KDM4E (0.36)
SCHEMBL5387382 0.65 BLM (0.33)
SCHEMBL5416481 0.65 HTR2A (0.35)
SCHEMBL15856673 0.61 ACHE (0.33)
SCHEMBL17925763 0.61
SCHEMBL9900720 0.60
SCHEMBL1091985 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867661-A Adjust the amides compound and application thereof of WNT signal path 中国医学科学院药物研究所 2019-06-11 CN disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed