SCHEMBL3866120

SCHEMBL3866120

CC(C)N(CCNC/C(=C/CCCCC(=O)NOC1CCCCO1)COc1cccc2ccccc12)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ OGG1 O15527 1/20 0.34
▸ CASP3 P42574 4/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ CASP8 Q14790 3/20 0.34
▸ PREP P48147 1/20 0.34
▸ HTR1B P28222 2/20 0.33
▸ NR2E1 Q9Y466 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CASP6 P55212 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3866126 1.00 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL3866128 1.00 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL1307398 0.90 P2RX3 (0.51) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL1307393 0.90 P2RX3 (0.51) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL1307396 0.90 P2RX3 (0.51) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL17043085 0.89 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL17043083 0.89 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL3821057 0.89 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL1308802 0.89 P2RX3 (0.54) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL1308805 0.89 P2RX3 (0.54) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
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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