SCHEMBL28670209

SCHEMBL28670209

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3)C2[Zr](Cl)(Cl)C2C(c3ccco3)=Cc3c2ccc(C)c3-c2ccccc2)o1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL28655714 0.89 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL28677598 0.87 PTGS1 (0.34) PTGS1PTGS2ALDH1A1HSD17B10
SCHEMBL28677496 0.86 PTGS1 (0.33) PTGS1PTGS2ADORA2AADORA1
SCHEMBL22499663 0.83 PTGS1 (0.34) PTGS1PTGS2ADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL28670211 0.82 ADORA2A (0.34) PTGS1PTGS2ADORA2AADORA1ADORA3
SCHEMBL28660132 0.80
SCHEMBL7065731 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22499655 0.76 PTGS1 (0.40) PTGS1PTGS2ADORA2AADORA1ADORA3
SCHEMBL22499657 0.76 PTGS1 (0.40) PTGS1PTGS2ADORA2AADORA1ADORA3
SCHEMBL3669145 0.76 SMARCA2 (0.35) ADORA2AADORA1ALDH1A1HSD17B10ADORA2B

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-113631591-B Process for producing catalyst component for olefin polymerization, process for producing catalyst for olefin polymerization, and process for producing olefin polymer 日本聚丙烯株式会社 2023-05-05 CN disclosed
CN-110483670-B Metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2021-11-30 CN disclosed