SCHEMBL7017185

SCHEMBL7017185

COc1ccc(C(=O)CCC#N)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.63
WNT3A P56704 3/20 0.63
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ELANE P08246 1/20 0.58
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL11767895 0.91 CTNNB1 (0.60) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL9044934 0.88 CTNNB1 (0.57) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL10455919 0.85 CTNNB1 (0.83) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL30487237 0.84 MAPT (0.66) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL139147 0.84 MAPT (0.66) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL31556192 0.82 CTNNB1 (0.73) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL6600362 0.80 CTNNB1 (0.71) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL29060617 0.80 CTNNB1 (0.71) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL31556194 0.80 CTNNB1 (0.71) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL30092278 0.80 CTNNB1 (0.71) CTNNB1WNT3AMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770064-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS MILLENIUM PHARMACEUTICALS INC (US) 2003-11-05 EP disclosed
US-6201016-B1 IMMUNOSUPPRESSANT AS 5-LIPOXYGENASE INHIBITOR AND/OR AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONIST CYTOMED INCORPORATED 2001-03-13 US disclosed
US-5792776-A HYDROXAMIC SUBSTITUTED TETRAHYDROTHIPOHENES, TETRAHYDROFURANS, PYRROLIDINES AND CYCLOPENTANES CYTOMED, INC., (US) 1998-08-11 US disclosed
US-5780503-A Compounds and methods for the treatment of cardiovascular, inflammatory and immune disorders CYTOMED, INC. (US) 1998-07-14 US disclosed
EP-0770064-A4 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 1998-01-14 EP disclosed
US-5681966-A ENANTIOMERICALLY ENRICHED DISUBSTITUTED TETRAHYDROFURANS, TETRAHYDROTHIOPHENES ACT AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS OR 5-LIPOXYGENASE INHIBITORS CYTOMED, INC. (US) 1997-10-28 US disclosed
EP-0770064-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1997-05-02 EP disclosed
WO-1996000212-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1996-01-04 WO disclosed