SCHEMBL3817692

SCHEMBL3817692

CCN(C/C(=C\c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12)C1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.67
▸ TGFBR1 P36897 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ OGG1 O15527 1/20 0.32
▸ GSTP1 P09211 1/20 0.31
▸ GSTM2 P28161 1/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL3846221 0.96 P2RX3 (0.66) P2RX3TGFBR1TSHRALDH1A1MEN1
SCHEMBL3820913 0.88 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1MEN1KMT2A
SCHEMBL3820917 0.87 P2RX3 (0.62) P2RX3TGFBR1TSHRALDH1A1MEN1
SCHEMBL3822470 0.85 P2RX3 (0.63) P2RX3TGFBR1TSHRALDH1A1MEN1
SCHEMBL3812735 0.83 P2RX3 (0.43) P2RX3TSHRALDH1A1MEN1KMT2A
SCHEMBL3820442 0.83 P2RX3 (0.43) P2RX3TSHRALDH1A1MEN1KMT2A
SCHEMBL1305720 0.83 P2RX3 (0.70) P2RX3TGFBR1TSHRALDH1A1MEN1
SCHEMBL3813526 0.81 P2RX3 (0.51) P2RX3TSHRALDH1A1MEN1KMT2A
SCHEMBL3852223 0.81 P2RX3 (0.55) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1305647 0.81 P2RX3 (0.58) P2RX3TGFBR1ALDH1A1MEN1KMT2A

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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