SCHEMBL8368606

SCHEMBL8368606

C=CCOc1c(O)cc(C(C)(C)C)c(OC(C)=O)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
VCAM1 P19320 6/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8846639 0.94 SLC5A1 (0.34) SLC5A1SLC5A2VCAM1MAPTSMN1; SMN2
SCHEMBL7729839 0.81 LIG1 (0.34) PTGS2PTGS1KDM4EMAPTALDH1A1
SCHEMBL7520741 0.81 KDM4E (0.39) VCAM1PTGS1KDM4EMAPTSMN1; SMN2
SCHEMBL7523719 0.80 VCAM1 (0.38) SLC5A1SLC5A2VCAM1PTGS1MAPT
SCHEMBL9028634 0.75 KAT6A (0.36) VCAM1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL8368654 0.75 KDM4E (0.40) VCAM1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6773536 0.74 KDM4E (0.33) KDM4EPOLB
SCHEMBL6307528 0.74 MAPT (0.36) VCAM1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL7524587 0.74 VCAM1 (0.33) VCAM1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL7523149 0.73 KDM4E (0.35) VCAM1KDM4EMAPTSMN1; SMN2ALDH1A1

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 4 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-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