SCHEMBL5606946

SCHEMBL5606946

[Ce]c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 5/20 0.67
▸ PSMB5 P28074 5/20 0.67
▸ PSMB2 P49721 4/20 0.67
▸ LTA4H P09960 12/20 0.65
▸ HRH3 Q9Y5N1 2/20 0.65
▸ PTGS2 P35354 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ PTGS1 P23219 1/20 0.63

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
SCHEMBL3578646 0.83 HRH3 (0.90) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL7819691 0.81 LTA4H (0.90) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL2213892 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL229697 0.81 LTA4H (0.90) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL3578343 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL4517043 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL13896856 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL1986761 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL8337754 0.81 HRH3 (0.70) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL2475993 0.81 ESR1 (0.75) PSMB1PSMB5PSMB2LTA4HHRH3

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-1754709-A1 Process for preparing vinylphosphates DSM IP Assets B.V. (NL) 2007-02-21 — — EP disclosed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 — — EP disclosed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 — — WO disclosed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 — — US disclosed
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