Isopropylbenzene

Isopropylbenzene

SCHEMBL4657000

CC(C)(C)OO.CC(C)c1ccccc1.OO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A4 P31645 1/20 0.42
RIPK1 Q13546 2/20 0.41
HIF1A Q16665 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
AOC3 Q16853 1/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 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
Isopropylbenzene SCHEMBL49975 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15SLC6A4RIPK1HIF1A
Isopropylbenzene SCHEMBL10384274 0.92 GABRA1 (0.43) ALDH1A1ALOX15SLC6A4RIPK1HIF1A
Isopropylbenzene SCHEMBL28683459 0.89 ALDH1A1 (0.45) ALDH1A1ALOX15SLC6A4RIPK1HIF1A
Isopropylbenzene SCHEMBL28888730 0.89 ALDH1A1 (0.45) ALDH1A1ALOX15SLC6A4RIPK1HIF1A
Isopropylbenzene SCHEMBL7636787 0.87 ALDH1A1 (0.40) ALDH1A1ALOX15HIF1AKDM4ECYP2D6
Isopropylbenzene SCHEMBL8373967 0.86 ALDH1A1 (0.44) ALDH1A1SLC6A4RIPK1HIF1AADRA2A
Isopropylbenzene SCHEMBL641735 0.85 ADRA2C (0.46) ALDH1A1ALOX15HIF1AADRA2AADRA2C
Isopropylbenzene SCHEMBL11530089 0.85 ALDH1A1 (0.40) ALDH1A1ALOX15SLC6A4RIPK1HIF1A
Isopropylbenzene SCHEMBL3497916 0.84 RIPK1 (0.42) ALDH1A1SLC6A4RIPK1HIF1AADRA2A
Isopropylbenzene SCHEMBL2522337 0.84 RIPK1 (0.42) ALDH1A1SLC6A4RIPK1HIF1AADRA2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679735-A USING PROTECTIVE COLLOID AS STABILIZER HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US claimed
EP-1414873-B1 ENHANCED POLYMERIZATION PROCESS SABIC INNOVATIVE PLASTICS IP (NL) 2008-12-03 EP disclosed
CN-100348701-C Organosulfur oxidation process LYONDELL CHEMICAL TECH LP (US) 2007-11-14 CN disclosed
CN-100339462-C Organosulfur oxidation process LYONDELL CHEMICAL TECH LP (US) 2007-09-26 CN disclosed
EP-1792909-A1 Synthesis of polynucleotides Agilent Technologies, Inc. (US) 2007-06-06 EP disclosed
CN-1753977-A Organosulfur oxidation process LYONDELL CHEMICAL TECH LP (US) 2006-03-29 CN disclosed
CN-1753975-A Organic sulfide oxidation process LYONDELL CHEMICAL TECH LP (US) 2006-03-29 CN disclosed
US-6784253-B2 IMPROVING IMPACT STRENGTH OF AN ABS GRAFT POLYMER, REDUCING MONOMER EMISSIONS IN THE PROCESS, INCREASE IN CROSSLINK DENSITY, BY GRAFT POLYMERIZATION A CROSSLINKED POLYBUTADIENE WITH STYRENE AND ACRYLONITRILE GENERAL ELECTRIC COMPANY 2004-08-31 US disclosed
EP-1414873-A1 ENHANCED POLYMERIZATION PROCESS GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
US-20040059079-A1 Adding a batch of water, an emulsifier, and a diene monomer to a reaction system to 40-80% full, adding a liquid feed of a diene monomer, an initiator and a chain transfer agent continuously and reacting; semi-batch process GENERAL ELECTRIC COMPANY 2004-03-25 US disclosed
EP-0590988-B1 Process for producing crosslinked polymer containing carboxyl group SUMITOMO SEIKA CHEMICALS (JP) 1997-07-02 EP disclosed
WO-1997022751-A2 PROCESS FOR REMOVING INKS FROM WASTE PAPER RHONE-POULENC INC. (US) 1997-06-26 WO disclosed
EP-0359796-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER. ARISTECH CHEMICAL CORP (US) 1990-03-28 EP disclosed
WO-1989008670-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER ARISTECH CHEMICAL CORPORATION (US) 1989-09-21 WO disclosed
US-4593081-A Acrylated ester PHILLIPS PETROLEUM COMPANY (US) 1986-06-03 US disclosed
EP-0025200-B1 PROCESS FOR PREPARING POLYPHENYLENE OXIDE GRAFT COPOLYMERS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-07-04 EP disclosed
US-4426459-A SWELLING, HYDROPEROXIDE, ALKALINE COMPOUND BRIDGESTONE TIRE CO., LTD. (JP) 1984-01-17 US disclosed
EP-0001561-A1 Water-soluble phosphorus containing carboxylic polymers The B.F. GOODRICH Company (US) 1979-05-02 EP disclosed
US-4071679-A WITH CONJUGATED DIENES PHILLIPS PETROLEUM COMPANY (US) 1978-01-31 US disclosed
US-3991243-A CROSSLINKING RAYCHEM CORPORATION (US) 1976-11-09 US disclosed