SCHEMBL9372688

SCHEMBL9372688

C=CCN(CC(=O)OCC)C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.40
▸ KLK1 P06870 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ CRHR1 P34998 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 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
SCHEMBL9372436 0.84 NLRP3 (0.43) NLRP3SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL9369583 0.80 NLRP3 (0.40) F2NLRP3SMN1; SMN2ALDH1A1MEN1
SCHEMBL9374168 0.80 NLRP3 (0.40) NLRP3SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL9368524 0.79 NLRP3 (0.37) F2NLRP3SMN1; SMN2MAPTALDH1A1
SCHEMBL9376548 0.78 NLRP3 (0.39) NLRP3SMN1; SMN2CRHR1ALDH1A1KDM4E
SCHEMBL9373260 0.76 ITGB1 (0.39) NLRP3SMN1; SMN2CRHR1ALDH1A1
SCHEMBL9368665 0.76 PIN1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ATRPM8
SCHEMBL10366624 0.76 MGAM (0.47) F2KLK1PRSS1SMN1; SMN2MAPT
SCHEMBL2167246 0.76 NLRP3 (0.51) NLRP3SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL9368775 0.75 NLRP3 (0.40) NLRP3SMN1; SMN2MAPTALDH1A1KDM4E

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
EP-0377893-B1 3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1994-04-06 — — EP disclosed
US-5186737-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1993-02-16 — — US disclosed
US-5045560-A Insecticides, nematocides, fungicides, herbicides, human and veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 — — US disclosed
EP-0377893-A2 3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1990-07-18 — — EP disclosed
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