Isopropylbenzene

Isopropylbenzene

SCHEMBL3428762

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
SRC P12931 1/20 0.54
LMNA P02545 3/20 0.52
MAPK1 P28482 3/20 0.52
PTGS2 P35354 3/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
APAF1 O14727 1/20 0.47
HIF1A Q16665 2/20 0.47
CYP2C9 P11712 1/20 0.47
CNR2 P34972 1/20 0.46
MAPT P10636 2/20 0.46
PTGS1 P23219 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46

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 SCHEMBL11150402 0.90 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1CRHBP
Isopropylbenzene SCHEMBL19859226 0.90 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1CRHBP
Isopropylbenzene SCHEMBL9345572 0.90 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1CRHBP
Isopropylbenzene SCHEMBL27470674 0.87 CYP2D6 (0.50) CYP2D6SRCLMNAMAPK1CRHBP
Isopropylbenzene SCHEMBL8104018 0.87 CYP2D6 (0.50) CYP2D6SRCLMNAMAPK1CRHBP
Isopropylbenzene SCHEMBL23421101 0.87 ADRA2C (0.52) CYP2D6SRCLMNACRHBPCRHR2
Isopropylbenzene SCHEMBL16627 0.87 ADRA2C (0.52) CYP2D6SRCLMNACRHBPCRHR2
Isopropylbenzene SCHEMBL30804544 0.87 ADRA2C (0.52) CYP2D6SRCLMNACRHBPCRHR2
Isopropylbenzene SCHEMBL4795494 0.87 ADRA2C (0.52) CYP2D6SRCLMNACRHBPCRHR2
Isopropylbenzene SCHEMBL18614726 0.87 ADRA2C (0.52) CYP2D6SRCLMNACRHBPCRHR2

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
EP-2215525-A1 PHOTOCURABLE RESIN COMPOSITION FOR PRODUCING THREE DIMENSIONAL ARTICLES HAVING HIGH CLARITY Huntsman Advanced Materials Americas LLC (US) 2010-08-11 EP disclosed
WO-2009070500-A1 PHOTOCURABLE RESIN COMPOSITION FOR PRODUCING THREE DIMENSIONAL ARTICLES HAVING HIGH CLARITY HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2009-06-04 WO disclosed