SCHEMBL9181720

SCHEMBL9181720

CCC(=O)OC1=CC(=O)CC(c2cc(C)nn2C)C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL9620247 0.80 HCAR2 (0.41) NLRP3
SCHEMBL9180278 0.77 CYP1A2 (0.32)
SCHEMBL9179442 0.77 KDM4E (0.32)
SCHEMBL9620236 0.76 SMN1; SMN2 (0.34)
SCHEMBL9620424 0.74 HCAR2 (0.40)
SCHEMBL10569715 0.70 LMNA (0.33)
SCHEMBL28174741 0.69 SMN1; SMN2 (0.41)
SCHEMBL10523728 0.69
SCHEMBL10523735 0.69
SCHEMBL9176845 0.68 ALDH1A1 (0.33) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1034904-C Pesticide containing cyclohexane derivative and its pesticidal method NIHON NOHYAKU CO LTD (JP) 1997-05-21 CN disclosed
EP-0395422-B1 Cyclohexane derivatives, its salts and uses as insecticides NIHON NOHYAKU CO LTD (JP) 1995-06-21 EP disclosed
EP-0292122-B1 CYCLOHEXADIONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND SELECTIVE HERBICIDAL COMPOSITIONS AS WELL AS HERBICIDAL METHOD NIHON NOHYAKU CO., LTD. (JP) 1992-01-08 EP disclosed
EP-0395422-A1 Cyclohexane derivatives, its salts and uses as insecticides NIHON NOHYAKU CO., LTD. (JP) 1990-10-31 EP disclosed