SCHEMBL28398702

SCHEMBL28398702

CC(C)c1ccc(C(=O)OC(=O)c2ccccc2)cc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ TSHR P16473 2/20 0.44
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ BCL2 P10415 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ F2 P00734 1/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ GLRA1 P23415 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL28398699 0.91 CA12 (0.42) GABRA1GABRB1NPC1RAB9AGAA
SCHEMBL28403099 0.87 CES2 (0.47) GABRA1GABRB1TSHRPDCD1CD274
SCHEMBL28407174 0.84 GABRA1 (0.42) GABRA1GABRB1TSHRPDCD1CD274
SCHEMBL12648769 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL28404027 0.80 BCL2 (0.43) GABRA1GABRB1TSHRPDCD1CD274
SCHEMBL28398711 0.79 LMNA (0.47) GABRA1GABRB1TSHRPDCD1CD274
SCHEMBL9425954 0.79 GABRA1 (0.43) GABRA1GABRB1TSHRPDCD1CD274
SCHEMBL9699992 0.79 TSHR (0.50) TSHRPDCD1CD274LMNAF2
SCHEMBL13220716 0.79 CA1 (0.53) TSHRLMNAHTTSMN1; SMN2GAA
SCHEMBL28403581 0.78 PTGS1 (0.50) TSHRLMNAF2PTGS1PTGS2

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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