SCHEMBL3832556

SCHEMBL3832556

CCCC(F)OC(=O)N(CC(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12)C1CCN(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.42
▸ UBE2M P61081 16/20 0.35
▸ DCUN1D1 Q96GG9 16/20 0.35
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ TSHR P16473 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
SCHEMBL1306360 0.86 P2RX3 (0.43) P2RX3DAPK1PIM3TSHR
SCHEMBL1306437 0.86 P2RX3 (0.43) P2RX3DAPK1PIM3TSHR
SCHEMBL1306362 0.86 P2RX3 (0.43) P2RX3DAPK1PIM3TSHR
SCHEMBL3834922 0.80 P2RX3 (0.39) P2RX3DAPK1PIM3TSHR
SCHEMBL3832922 0.78 P2RX3 (0.38) P2RX3DAPK1PIM3TSHR
SCHEMBL1307047 0.77 P2RX3 (0.62) P2RX3DAPK1PIM3
SCHEMBL1307045 0.77 P2RX3 (0.62) P2RX3DAPK1PIM3
SCHEMBL3834741 0.77 MEN1 (0.38) P2RX3DAPK1PIM3TSHR
SCHEMBL3826815 0.77 TRPM8 (0.38) P2RX3DAPK1PIM3TSHR
SCHEMBL3832337 0.77 LPAR1 (0.40) P2RX3DAPK1PIM3TSHR

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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO disclosed
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