SCHEMBL28398713

SCHEMBL28398713

CC(C)Cc1ccc(C(=O)OC(=O)c2ccc(CC(C)C)c(CC(C)C)c2)cc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA7 P43166 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA14 Q9ULX7 4/20 0.39
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL28401251 0.93 ALOX15 (0.37) CA12CA1CA2CA7CA9
SCHEMBL28398716 0.92 TSHR (0.41) ALDH1A1SMN1; SMN2TSHR
SCHEMBL28407122 0.89 PPARG (0.44) ALDH1A1HIF1APPARGPPARA
SCHEMBL28401244 0.86 KMT2A (0.37) CA12CA1CA2CA7CA9
SCHEMBL28401252 0.86 LMNA (0.41) ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL28401246 0.80 CES2 (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
SCHEMBL28403585 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL28403117 0.76 PTGS1 (0.52) ALDH1A1SMN1; SMN2TSHR
SCHEMBL23346538 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2TSHR
SCHEMBL2538454 0.75 ALDH1A1 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111234070-B Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2022-03-01 — — CN claimed
CN-111234073-B Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2021-12-31 — — CN claimed
CN-111234073-A Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2020-06-05 — — CN claimed
CN-111234070-A Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2020-06-05 — — CN claimed
CN-111234070-B Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2022-03-01 — — CN disclosed
CN-111234073-B Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2021-12-31 — — CN disclosed
CN-111234073-A Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2020-06-05 — — CN disclosed
CN-111234070-A Catalyst component, catalyst system and prepolymerized catalyst for olefin polymerization, use thereof and olefin polymerization process 中国石油化工股份有限公司 2020-06-05 — — CN disclosed
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