SCHEMBL14216605

SCHEMBL14216605

CCCC(N=[N+]=[N-])Oc1ccc(OC(CCC)N=[N+]=[N-])cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.37
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ GPR88 Q9GZN0 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
SCHEMBL17138117 0.73 ALDH1A3 (0.50) PDE2A
SCHEMBL28543411 0.71 — —
SCHEMBL27803943 0.66 CHRNA7 (0.37) PPARGPPARAGPR88
SCHEMBL28816453 0.66 TDP1 (0.41) —
SCHEMBL28475146 0.66 PTGS2 (0.39) PDE2A
SCHEMBL23291062 0.65 ALDH1A1 (0.33) —
SCHEMBL20023707 0.64 PDE2A (0.63) PDE2A
SCHEMBL28183052 0.63 — —
SCHEMBL14337540 0.63 ACHE (0.38) PPARGPPARA
SCHEMBL20213967 0.63 PDE2A (0.38) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 — — US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 — — US disclosed
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