SCHEMBL30280992

SCHEMBL30280992

COC(=O)c1ccc(C2CCC2)c(C(N)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BTK Q06187 2/20 0.35
GAA P10253 2/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL30280880 0.89 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL30280908 0.88 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280727 0.87 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30281122 0.83 PTGER4 (0.43) PTGER4PDK2PDK4CNR1CNR2
SCHEMBL30280983 0.83 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL17669997 0.80 HSP90AA1 (0.48) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280770 0.80 HSP90AA1 (0.48) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30281005 0.77 ALDH1A1 (0.43) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280774 0.76 KDM4E (0.37) PTGER4PDK2PDK4ALDH1A1KDM4E
SCHEMBL8580491 0.74 CMA1 (0.40) PTGER4PDK2PDK4HSP90AA1HSP90AB1

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed