SCHEMBL7523719

SCHEMBL7523719

C=CCOc1cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.38
ACHE P22303 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.34
TP53 P04637 1/20 0.34
MTNR1A P48039 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL9028634 0.92 KAT6A (0.36) VCAM1ACHEADRB2ADRB1ADRB3
SCHEMBL8846639 0.88 SLC5A1 (0.34) VCAM1ACHEADRB2ADRB1ADRB3
SCHEMBL7525731 0.81 VCAM1 (0.39) VCAM1ACHESMN1; SMN2POLBMEN1
SCHEMBL8368606 0.80 SLC5A1 (0.33) VCAM1MAPTSMN1; SMN2POLBPTGS1
SCHEMBL6308039 0.79 BACE1 (0.47) VCAM1MAPTSMN1; SMN2TP53MEN1
SCHEMBL7729839 0.79 LIG1 (0.34) ACHEMAPTPOLBPTGS1MEN1
SCHEMBL9639084 0.78 CA2 (0.53) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL31046784 0.77 ESRRA (0.45) VCAM1
SCHEMBL14392805 0.76 VCAM1 (0.39) VCAM1MAPTSMN1; SMN2TP53MEN1
SCHEMBL6312918 0.76 CA1 (0.55) VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440249-A Intrinsic anti-yellowing cycloolefin copolymer and preparation method and application thereof 中国科学院大连化学物理研究所 2024-08-06 CN disclosed
EP-0791589-B1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-03-06 EP disclosed
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 EP disclosed
US-5789436-A ARTERIOSCLEROSIS; INHIBITORS OF OXIDATION OF LOW DENSITY LIPOPROTEINS; CHUGAI SEIYAK KABUSHIKI KAISHA (JP) 1998-08-04 US 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
EP-0791589-A1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP 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