SCHEMBL9803448

SCHEMBL9803448

CC1CC2=C(CCCC2=O)N(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
HKDC1 Q2TB90 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
SCHEMBL12340978 0.76 CA1 (0.34) MAPTHPGDALDH1A1
SCHEMBL9455488 0.69 SRD5A1 (0.46) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL9797169 0.67 KDM4E (0.34) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL10182573 0.65
SCHEMBL2021592 0.65
SCHEMBL4181392 0.65
Hydrogen Sulfide SCHEMBL9272622 0.63 TSHR (0.44) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL13024393 0.62
SCHEMBL14382302 0.62
SCHEMBL9803041 0.62 KDM4E (0.35) KDM4EALDH1A1GAA

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
US-5068334-A Analgesics and antipyretics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP disclosed