Isopropylbenzene

Isopropylbenzene

SCHEMBL3475008

CC(C)c1ccccc1.Cc1ccccc1.c1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
TSHR P16473 2/20 0.61
ALOX12 P18054 1/20 0.61
ACHE P22303 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
CNR2 P34972 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39

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 SCHEMBL338185 1.00 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL29188898 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
P-Cymene SCHEMBL10942903 0.92 ACHE (0.58) LMNATSHRALOX12ACHESMN1; SMN2
P-Cymene SCHEMBL1292746 0.92 ACHE (0.50) LMNATSHRALOX12ACHESMN1; SMN2
P-Cymene SCHEMBL8208471 0.92 ACHE (0.58) LMNATSHRALOX12ACHESMN1; SMN2
Isopropylbenzene SCHEMBL6568 0.88
Isopropylbenzene SCHEMBL8431863 0.88 TAAR1 (0.50) LMNATSHRTAAR1ADRA2AADRA2C
Isopropylbenzene SCHEMBL11254813 0.88
Isopropylbenzene SCHEMBL87809 0.88 TAAR1 (0.50) LMNATSHRTAAR1ADRA2AADRA2C
Isopropylbenzene SCHEMBL3672803 0.88 TAAR1 (0.50) LMNATSHRTAAR1ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100293723-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME EMINENT TECHNOLOGIES, LLC (US) 2010-11-25 US disclosed
EP-2167625-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME Racette, Timothy L. (US) 2010-03-31 EP disclosed
WO-2008154394-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME RACETTE TIMOTHY L (US) 2008-12-18 WO disclosed