SCHEMBL28917482

SCHEMBL28917482

CCOC(=O)c1noc(C(C)(CF)C(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
BMP1 P13497 2/20 0.37
SLC26A6 Q9BXS9 8/20 0.35
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL23114031 0.83 MMP2 (0.37) MMP2BMP1SLC26A6IDO1ALDH1A1
SCHEMBL28917534 0.82 DPP4 (0.31)
SCHEMBL28917500 0.81 DPP4 (0.32)
SCHEMBL8691394 0.80 ALDH1A1 (0.41) MMP2BMP1SLC26A6IDO1ALDH1A1
SCHEMBL23983380 0.79 MLYCD (0.39) MMP2BMP1SLC26A6IDO1ALDH1A1
SCHEMBL23114080 0.76 MMP2 (0.38) MMP2BMP1SLC26A6IDO1ALDH1A1
SCHEMBL463064 0.76 KDM4E (0.42) MMP2BMP1SLC26A6ALDH1A1CYP1A2
SCHEMBL17645647 0.73 MMP2 (0.36) MMP2BMP1SLC26A6ALDH1A1
SCHEMBL23114193 0.70 MMP2 (0.33) MMP2BMP1SLC26A6IDO1ALDH1A1
SCHEMBL8825216 0.70 CYP1A2 (0.43) MMP2BMP1SLC26A6IDO1ALDH1A1

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
CN-116589467-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 CN disclosed
CN-116589466-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 CN disclosed
CN-115485278-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2022-12-16 CN disclosed