SCHEMBL3873617

SCHEMBL3873617

CCCCOC(=O)N(CCN(C(C)C)C(C)C)C/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.60
▸ TGFBR1 P36897 1/20 0.33
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL3873620 0.84 P2RX3 (0.64) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL1307191 0.83 P2RX3 (0.66) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL3852223 0.80 P2RX3 (0.55) P2RX3TGFBR1ALDH1A1KDM4EADAMTS4
SCHEMBL1307193 0.79 P2RX3 (0.67) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL1305720 0.78 P2RX3 (0.70) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL1305459 0.78 P2RX3 (0.60) P2RX3TGFBR1
SCHEMBL1307315 0.78 P2RX3 (0.66) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL1307318 0.78 P2RX3 (0.66) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL3817692 0.78 P2RX3 (0.67) P2RX3TGFBR1MEN1KMT2ATSHR
SCHEMBL1307194 0.77 P2RX3 (0.67) P2RX3TGFBR1MEN1KMT2AALDH1A1

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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