SCHEMBL9680745

SCHEMBL9680745

CC(=O)OC1C=CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NLRP3 Q96P20 1/20 0.30
NSD2 O96028 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 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
SCHEMBL31430885 0.77 ALDH1A1 (0.32) POLB
SCHEMBL11625865 0.74
SCHEMBL8873959 0.71 ALOX15 (0.39) POLBALOX5ALOX15TSHR
SCHEMBL10333187 0.65 POLB (0.35) POLBALOX5NLRP3
SCHEMBL31587885 0.64 POLB (0.34) POLBALOX5NLRP3
SCHEMBL11183540 0.63 ALOX15 (0.39) POLBALOX5ALOX15TSHR
SCHEMBL25090572 0.63 POLB (0.42) POLBALOX5ALOX15TSHR
SCHEMBL8959105 0.63 POLB (0.40) POLBALOX5ALOX15TSHR
SCHEMBL18510216 0.63 POLB (0.40) POLBALOX5ALOX15TSHR
SCHEMBL27640654 0.61 POLB (0.32) POLBALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63049099-A None JP disclosed
US-5093250-A Process for producing optically active bicyclo[3.3.0]octanedione carboxylic acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
JP-S6349099-A PRODUCTION OF OPTICALLY ACTIVE 3-CHLORO-4-HYDROXY-2-CYCLOPENTENONE FUJI YAKUHIN KOGYO KK 1988-03-01 JP disclosed