Isopropylbenzene

Isopropylbenzene

SCHEMBL6131291

CC(C)c1ccccc1.O=S(O)O.[NaH]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TYR P14679 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 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
Isopropylbenzene SCHEMBL9296427 0.91 CNR2 (0.42) CNR2CRHBPCRHR2CYP2D6KDM4E
Isopropylbenzene SCHEMBL28105783 0.87 CYP2D6 (0.46) CNR2CRHBPCRHR2CYP2D6KDM4E
Isopropylbenzene SCHEMBL11051581 0.87 ADRA2C (0.50) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL18614726 0.84 ADRA2C (0.52) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL105799 0.84 TAAR1 (0.48) CYP2D6KDM4ELMNAHIF1AADRA2A
Isopropylbenzene SCHEMBL23421101 0.84 ADRA2C (0.52) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL30804544 0.84 ADRA2C (0.52) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL16627 0.84 ADRA2C (0.52) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL4795494 0.84 ADRA2C (0.52) CRHBPCRHR2CYP2D6KDM4ELMNA
Isopropylbenzene SCHEMBL28238096 0.84 TAAR1 (0.48) CYP2D6KDM4ELMNAHIF1AADRA2A

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-20050213906-A1 Optical transmission mediums, and processes and apparatus for producing optical transmission mediums FUJIFILM CORPORATION (JP) 2005-09-29 — — US disclosed
EP-1507648-A2 OPTICAL TRANSMISSION MEDIUMS, AND PROCESSES AND APPARUTUS FOR PRODUCING OPTICAL TRANSMISSION MEDIUMS FUJI PHOTO FILM CO., LTD. (JP) 2005-02-23 — — EP disclosed
WO-2003097336-A2 OPTICAL TRANSMISSION MEDIUMS, AND PROCESSES AND APPARUTUS FOR PRODUCING OPTICAL TRANSMISSION MEDIUMS FUJI PHOTO FILM CO., LTD. (JP) 2003-11-27 — — WO disclosed
Send feedback