Isopropylbenzene

Isopropylbenzene

SCHEMBL7943826

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
CYP2C9 P11712 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 1/20 0.42
MAPK1 P28482 2/20 0.41
ALOX5 P09917 1/20 0.41

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
Methacrylic Acid SCHEMBL3376082 0.87 HPGD (0.52) HPGDSMN1; SMN2KDM4EKMT2ALMNA
Isopropylbenzene SCHEMBL8104018 0.86 CYP2D6 (0.50) HPGDCYP2C9KDM4EKMT2ALMNA
Isopropylbenzene SCHEMBL27470674 0.86 CYP2D6 (0.50) HPGDCYP2C9KDM4EKMT2ALMNA
Phenyl Ethanol SCHEMBL17594800 0.85 HPGD (0.55) HPGDSMN1; SMN2KDM4EKMT2AMEN1
Isopropylbenzene SCHEMBL11150402 0.84 CYP2D6 (0.52) CYP2C9KDM4EKMT2ALMNACRHBP
Isopropylbenzene SCHEMBL19859226 0.84 CYP2D6 (0.52) CYP2C9KDM4EKMT2ALMNACRHBP
Isopropylbenzene SCHEMBL9345572 0.84 CYP2D6 (0.52) CYP2C9KDM4EKMT2ALMNACRHBP
Methacrylic Acid SCHEMBL29172901 0.82 PTGS2 (0.58) HPGDCYP2C9SMN1; SMN2KDM4EKMT2A
Naphthalene SCHEMBL3422961 0.81 KDM4E (0.47) HPGDSMN1; SMN2KDM4EKMT2AMEN1
Naphthalene SCHEMBL3422143 0.81 KDM4E (0.47) HPGDSMN1; SMN2KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007530-A1 WASHABLE IMPREGNATION COMPOSITIONS LOCTITE CORPORATION (US) 2001-02-01 WO disclosed