Sugi Predict

Sugi Predict / Compounds / Isopropylbenzene

Isopropylbenzene

Isopropylbenzene

SCHEMBL27621981

CC(C)c1ccccc1.CC1CO1.OO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37

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
Isopropylbenzene SCHEMBL29066301 0.98 CHRM1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
Phenyl Ethanol SCHEMBL27970674 0.85 KDM4E (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
Isopropylbenzene SCHEMBL6320513 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL30804544 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL16627 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL23421101 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL4795494 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL18614726 0.81 ADRA2C (0.52) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL7601546 0.78 ADRA2C (0.50) CHRM2ADRA2AADRA2CCYP2D6LMNA
Isopropylbenzene SCHEMBL4087648 0.78 ADRA2C (0.50) CHRM2ADRA2AADRA2CCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633422-A Method for purifying propylene oxide SUMITOMO CHEMICAL CO (JP) 2005-06-29 — — CN claimed
CN-112479800-B Energy-saving process for recycling propylene 常州瑞华化工工程技术股份有限公司 2023-06-16 — — CN disclosed
CN-110947375-B Catalyst for preparing propylene oxide and preparation method thereof 红宝丽集团股份有限公司 2021-07-09 — — CN disclosed
CN-110947375-A Catalyst for preparing propylene oxide and preparation method thereof 红宝丽集团股份有限公司 2020-04-03 — — CN disclosed
CN-106582809-B A kind of olefin epoxidation catalysts and preparation method thereof 红宝丽集团股份有限公司 2019-08-30 — — CN disclosed
CN-106582809-B A kind of olefin epoxidation catalysts and preparation method thereof 红宝丽集团股份有限公司 2019-08-30 — — CN disclosed
CN-106582809-A Catalyst for epoxidation of olefin and preparation method thereof 红宝丽集团股份有限公司 2017-04-26 — — CN disclosed
CN-102139227-B Catalyst for preparing epoxy propane by propylene liquid-phase epoxidation reaction and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2013-04-10 — — CN disclosed
CN-102139227-A Catalyst for preparing epoxy propane by propylene liquid-phase epoxidation reaction and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2011-08-03 — — CN disclosed
CN-101497045-B Catalyst for producing epoxypropane by liquid phase one-step oxidation of propylene and preparation method UNIV EAST CHINA SCIENCE & TECH 2011-03-30 — — CN disclosed
CN-101497045-A Catalyst for producing epoxypropane by liquid phase one-step oxidation of propylene and preparation method UNIV EAST CHINA SCIENCE & TECH (CN) 2009-08-05 — — CN disclosed
CN-1633422-A Method for purifying propylene oxide SUMITOMO CHEMICAL CO (JP) 2005-06-29 — — CN disclosed