SCHEMBL28401351

SCHEMBL28401351

CC(C)Cc1ccc(CC(C)C)c(C(=O)OC(=O)c2cc(CC(C)C)ccc2CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ CXCR1 P25024 3/20 0.41
▸ CXCR2 P25025 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ NR1I3 Q14994 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ TSHR P16473 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
SCHEMBL28401356 0.90 GABRA1 (0.42) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL28404030 0.83 GABRA1 (0.42) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL8702465 0.77 ALDH1A1 (0.50) GABRA1GABRB2LMNAADRB3TSHR
SCHEMBL28407162 0.77 TRPA1 (0.42) GABRA1GABRB2AKR1C3TSHRAKR1C2
SCHEMBL28404032 0.75 MEN1 (0.39) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL7854729 0.75 KDM4E (0.50) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL13154814 0.73 GABRA1 (0.42) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL28403117 0.73 PTGS1 (0.52) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL28398713 0.72 CA12 (0.39) GABRA1GABRB2TSHR
SCHEMBL8080032 0.72 MAPT (0.64) GABRA1GABRB2PTGS2CXCR1CXCR2

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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