Isopropylbenzene

Isopropylbenzene

SCHEMBL5709707

CC(C)c1ccccc1.CC(O)N(C(C)O)C(C)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ADRA2C P18825 2/20 0.48
ALOX12 P18054 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA1A P35348 1/20 0.48
RGS12 O14924 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
GNAI1 P63096 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 SCHEMBL10595052 0.85 LMNA (0.54) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL4795494 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL16627 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL30804544 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL18614726 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL23421101 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL6320513 0.84 ADRA2C (0.52) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL4087648 0.82 ADRA2C (0.50) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL11051581 0.82 ADRA2C (0.50) KDM4EALDH1A1ADRA2CALOX12CHRM2
Isopropylbenzene SCHEMBL23501477 0.82 ALDH1A1 (0.54) KDM4EALDH1A1ADRA2CALOX12CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334173-B1 WIPES FOR CLEANING FOODS, TOYS AND FOOD/CHILD CONTACT SURFACES PROCTER & GAMBLE (US) 2006-09-27 EP disclosed
US-6821940-B2 PREMOISTENED SUBSTRATE WITH A CLEANING COMPOSITION USING TOXICOLOGICALLY-ACCEPTABLE INGREDIENTS THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
EP-1334173-A2 WIPES FOR CLEANING FOODS, TOYS AND FOOD/CHILD CONTACT SURFACES THE PROCTER & GAMBLE COMPANY (US) 2003-08-13 EP disclosed
US-20020151452-A1 Wipes for cleaning foods, toys and food/child contact surfaces PROCTER & GAMBLE COMPANY, THE 2002-10-17 US disclosed
WO-2002040628-A2 WIPES FOR CLEANING FOODS, TOYS AND FOOD/CHILD CONTACT SURFACES THE PROCTER & GAMBLE COMPANY (US) 2002-05-23 WO disclosed
EP-1089622-A1 PREMOISTENED WIPE WITH RESIDUAL ANTIMICROBIAL ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2001-04-11 EP disclosed
WO-2000000026-A1 PREMOISTENED WIPE WITH RESIDUAL ANTIMICROBIAL ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2000-01-06 WO disclosed
US-5424010-A Light duty liquid detergent composition containing 3-methyl-3-methoxy-butanol DULIBA EDWARD P (US) 1995-06-13 US disclosed
US-4943392-A DETERGENTS, CLEANING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1990-07-24 US disclosed
US-4692277-A Higher molecular weight diols for improved liquid cleaners THE PROCTER & GAMBLE COMPANY (US) 1987-09-08 US disclosed
US-4287080-A Detergent compositions which contain certain tertiary alcohols THE PROCTER & GAMBLE COMPANY (US) 1981-09-01 US disclosed