SCHEMBL28401356

SCHEMBL28401356

CC(C)Cc1ccc(CC(C)C)c(C(=O)OC(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ DHODH Q02127 1/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ CXCR1 P25024 2/20 0.38
▸ CXCR2 P25025 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL28401351 0.90 GABRA1 (0.50) GABRA1GABRB2PTGS1PTGS2CYP2C9
SCHEMBL28404032 0.86 MEN1 (0.39) DHODHPTGS1PTGS2CYP2C9LMNA
SCHEMBL8702469 0.84 TSHR (0.44) GABRA1GABRB2LMNAADRB3TSHR
SCHEMBL28403118 0.82 PTGS1 (0.50) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL28403222 0.81 SLC7A5 (0.54) CYP2C9HTR2ASLC6A2SLC6A3NR1I2
SCHEMBL28407164 0.81 LMNA (0.44) PTGS1PTGS2LMNATSHRSLC6A2
SCHEMBL28398716 0.80 TSHR (0.41) LMNAADRB3TSHRADRB1TDP1
SCHEMBL28401246 0.78 CES2 (0.41) LMNAADRB3TSHRADRB1KMT2A
SCHEMBL28401252 0.78 LMNA (0.41) LMNAADRB3TSHRADRB1CYP1A2
SCHEMBL28403219 0.76 SLC7A5 (0.54) SLC7A5

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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