SCHEMBL30280727

SCHEMBL30280727

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
PDK2 Q15119 2/20 0.39
PDK4 Q16654 2/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL30280992 0.87 PTGER4 (0.43) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280880 0.85 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280983 0.84 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL30280908 0.84 PTGER4 (0.41) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL17669997 0.81 HSP90AA1 (0.48) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30280770 0.81 HSP90AA1 (0.48) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30281122 0.79 PTGER4 (0.43) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL30281005 0.78 ALDH1A1 (0.43) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL8580491 0.75 CMA1 (0.40) PTGER4PDK2PDK4HSP90AA1HSP90AB1
SCHEMBL15957674 0.75 KDM4E (0.42) PTGER4PDK2PDK4KDM4EALDH1A1

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