Isopropylbenzene

Isopropylbenzene

SCHEMBL5154885

CC(C)OOC(=O)OC(C)C.CC(C)c1ccccc1.OO

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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 SCHEMBL25311754 0.82 ALDH1A1 (0.47) TSHRHTTPDCD1CD274ALDH1A1
SCHEMBL5154890 0.82 TDP1 (0.39) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL11868797 0.80 RAB9A (0.42) TSHRPDCD1CD274ALDH1A1SMN1; SMN2
Isopropylbenzene SCHEMBL2319730 0.80 ALDH1A1 (0.41) TSHRHTTPDCD1CD274ALDH1A1
Isopropylbenzene SCHEMBL25311758 0.80 ALDH1A1 (0.41) TSHRHTTPDCD1CD274ALDH1A1
Isopropylbenzene SCHEMBL15019622 0.80 TSHR (0.48) TSHRHTTPDCD1CD274ALDH1A1
Hydrogen Peroxide SCHEMBL16632403 0.79 KMT2A (0.41) TSHRHTTPDCD1CD274ALDH1A1
SCHEMBL15144 0.79 TSHR (0.46) TSHRALDH1A1HCAR2CA12CA1
SCHEMBL6729293 0.77 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL6726182 0.77 TSHR (0.43) TSHRHCAR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143303-B1 Image forming method CANON KK (JP) 2007-01-10 EP disclosed
US-6544708-B2 Heating and pressing a toner image onto a recording material by heat-pressure means to form a fixed image on recording material, the toner comprising toner particles each containing atleast a binder resin and a colorant CANON KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-20020048713-A1 Image forming method CANON KABUSHIKI KAISHA (JP) 2002-04-25 US disclosed
EP-1143303-A2 Image forming method CANON KABUSHIKI KAISHA (JP) 2001-10-10 EP disclosed
EP-0745908-A1 Image forming method and heat fixing method using a toner including a wax CANON KABUSHIKI KAISHA (JP) 1996-12-04 EP disclosed