SCHEMBL28547883

SCHEMBL28547883

CCCCc1ccc(C2OC(=O)COC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
PLA2G6 O60733 2/20 0.35
PLA2G4A P47712 1/20 0.35
CA1 P00915 1/20 0.35
RARB P10826 1/20 0.35
PLK1 P53350 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
SCHEMBL28545968 0.91 MGLL (0.35) ALDH1A1CA2THRBPLA2G6PLA2G4A
SCHEMBL28545946 0.85 MEN1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL28538262 0.84 S1PR3 (0.38) SPHK1PLA2G6PLA2G4A
SCHEMBL28545499 0.77 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL28548167 0.75 CYSLTR2 (0.38) ALDH1A1
SCHEMBL28546594 0.75 DRD2 (0.40) PLA2G6PLA2G4A
SCHEMBL28537207 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9303316 0.73 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CA2SMN1; SMN2
SCHEMBL28911292 0.73 POLB (0.37) ALDH1A1HPGDSMN1; SMN2
SCHEMBL28541784 0.71 MGLL (0.35) ALDH1A1SMN1; SMN2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553708-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553709-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553707-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-109553708-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553709-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553707-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-09 CN disclosed