SCHEMBL3852229

SCHEMBL3852229

CCCCC1CC(N(CC(=Cc2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)C(=O)O)CCN1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.59
▸ TGFBR1 P36897 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 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
SCHEMBL1305651 0.90 P2RX3 (0.61) P2RX3TGFBR1ALDH1A1
SCHEMBL3873620 0.80 P2RX3 (0.64) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1305720 0.78 P2RX3 (0.70) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL3817692 0.78 P2RX3 (0.67) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307321 0.77 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL3873617 0.77 P2RX3 (0.60) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL3846221 0.77 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1305722 0.77 P2RX3 (0.69) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1305717 0.77 P2RX3 (0.69) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307193 0.76 P2RX3 (0.67) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5

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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