SCHEMBL8368607

SCHEMBL8368607

Cc1c(OC2CCCCO2)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
PDE4B Q07343 2/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.32
HSD11B1 P28845 1/20 0.31
CA1 P00915 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8367277 0.81 PDE4B (0.34) PTPN1PDE4BPOLBATM
SCHEMBL8368608 0.79 SYK (0.45) PDE4BCA2ALDH1A1POLBTYR
SCHEMBL30788460 0.73 HSD11B1 (0.40) PTPN1PDE4BALDH1A1ATMHSD11B1
SCHEMBL16397520 0.73 SYK (0.47) PTPN1PDE4BALDH1A1SMN1; SMN2
SCHEMBL5892673 0.72 PTPN1 (0.38) PTPN1PDE4BALDH1A1POLBSMN1; SMN2
SCHEMBL5773668 0.72 PTPN1 (0.40) PTPN1PDE4BALDH1A1POLB
SCHEMBL7710644 0.71 NPY1R (0.39) PTPN1PDE4BSMN1; SMN2HSD11B1
SCHEMBL23907105 0.71 PDE4B (0.39) PTPN1PDE4BHSD11B1
SCHEMBL1144365 0.71 CYP3A4 (0.52) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL7710565 0.71 ALDH1A1 (0.40) PDE4BALDH1A1SMN1; SMN2ATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 EP disclosed
US-5663373-A ANTIISCHEMIC AGENTS AND ANTIOXIDANTS FORMED IN MULTISTAGE REACTION WITH GRIGNARD REAGENT WITH ALDEHYDE, DISSOLVING, ACIDIFICATION, DEPROTECTION AND CYCLIZATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
US-5606089-A ANTIISCHEMIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-02-25 US disclosed
US-5574178-A CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
EP-0665208-A1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-08-02 EP disclosed