SCHEMBL28404032

SCHEMBL28404032

Cc1ccc(CC(C)C)cc1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ 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
▸ 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
▸ ADRB3 P13945 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NR1I3 Q14994 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
SCHEMBL28404030 0.90 GABRA1 (0.42) MAPTPTGS1PTGS2CYP2C9LMNA
SCHEMBL28401356 0.86 GABRA1 (0.42) KMT2ADHODHPTGS1PTGS2CYP2C9
SCHEMBL28401250 0.86 LMNA (0.42) MEN1MAPTKMT2ALMNATSHR
SCHEMBL28403118 0.82 PTGS1 (0.50) KMT2APTGS1PTGS2CYP2C9LMNA
SCHEMBL28403222 0.81 SLC7A5 (0.54) KMT2ACYP2C9HTR2ANR1I2ADRB1
SCHEMBL28407096 0.79 MEN1 (0.41) MEN1KMT2APTGS1LMNATSHR
SCHEMBL6113278 0.78 MEN1 (0.51) MEN1MAPTKMT2ALMNATSHR
SCHEMBL17586554 0.78 AKR1C2 (0.49) DHODHPTGS1PTGS2CYP2C9LMNA
SCHEMBL28403219 0.76 SLC7A5 (0.54) SLC7A5
SCHEMBL28403117 0.76 PTGS1 (0.52) MEN1KMT2APTGS1PTGS2CYP2C9

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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