Isopropylbenzene

Isopropylbenzene

SCHEMBL27855834

CC(C)c1ccccc1.O=[PH](O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
HIF1A Q16665 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP2D6 P10635 2/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TYR P14679 2/20 0.42
CYP2C9 P11712 2/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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 SCHEMBL6320513 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL16627 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL4795494 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL30804544 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL18614726 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL23421101 0.87 ADRA2C (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Phosphonic Acid SCHEMBL11578743 0.85 DAO (0.46) KDM4ELMNAHIF1AADRA2AADRA2C
Isopropylbenzene SCHEMBL9345572 0.84 CYP2D6 (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL19859226 0.84 CYP2D6 (0.52) CRHBPCRHR2KDM4ELMNAHIF1A
Isopropylbenzene SCHEMBL11150402 0.84 CYP2D6 (0.52) CRHBPCRHR2KDM4ELMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482303-B Method For Producing Metal Phosphonate And Thermoplastic Resin Composition Containing Metal Phosphonate NISSAN CHEMICAL IND LTD 2015-07-22 CN disclosed
CN-102482303-A Method For Producing Metal Phosphonate And Thermoplastic Resin Composition Containing Metal Phosphonate NISSAN CHEMICAL IND LTD 2012-05-30 CN disclosed