SCHEMBL29243196

SCHEMBL29243196

CC(C)(C)OC(=O)Oc1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
CA2 P00918 1/20 0.37
DRD2 P14416 11/20 0.36
DRD3 P35462 10/20 0.36
HTR1D P28221 1/20 0.36
HSD11B1 P28845 1/20 0.34
CXCR2 P25025 2/20 0.33
CXCR1 P25024 1/20 0.33
CHRM1 P11229 4/20 0.33
DRD4 P21917 4/20 0.33
KDM1A O60341 1/20 0.33
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL29756733 0.82 MPO (0.44) DRD2DRD3HTR1DCHRM1DRD4
SCHEMBL5847372 0.82 MPO (0.44) DRD2DRD3HTR1DCHRM1DRD4
SCHEMBL19132601 0.81 ELANE (0.38) ELANECA2DRD2DRD3HTR1D
SCHEMBL22360909 0.80 DRD2 (0.42) CA2DRD2DRD3HTR1DCHRM1
SCHEMBL29756881 0.79 ELANE (0.40) ELANECA2HSD11B1
SCHEMBL20165338 0.79 ELANE (0.40) ELANECA2HSD11B1
SCHEMBL13392254 0.77 ESR2 (0.42) DRD2DRD3HTR1D
SCHEMBL19616624 0.77 METAP1 (0.37) DRD2DRD3HTR1DHSD11B1CHRM1
SCHEMBL29631990 0.76 MPO (0.37) ELANECA2DRD2DRD3HTR1D
SCHEMBL20211920 0.76 MPO (0.37) ELANECA2DRD2DRD3HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255703-A Preparation method of estrogen receptor degradation agent 南京医科大学 2024-06-28 CN disclosed