SCHEMBL3833477

SCHEMBL3833477

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCc1cccs1)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.47
▸ GAA P10253 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PREP P48147 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ F12 P00748 1/20 0.34

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
SCHEMBL1307264 0.88 P2RX3 (0.51) P2RX3GAAPOLBKMT2AMEN1
SCHEMBL1307268 0.88 P2RX3 (0.51) P2RX3GAAPOLBKMT2AMEN1
SCHEMBL1306688 0.87 P2RX3 (0.47) P2RX3GAAPOLBKMT2AMEN1
SCHEMBL1306690 0.87 P2RX3 (0.47) P2RX3GAAPOLBKMT2AMEN1
SCHEMBL1306257 0.87 P2RX3 (0.46) P2RX3KMT2AMEN1PREPADAMTS4
SCHEMBL1306255 0.87 P2RX3 (0.46) P2RX3KMT2AMEN1PREPADAMTS4
SCHEMBL17043096 0.86 P2RX3 (0.48) P2RX3POLBADAMTS4ADAMTS5HPGD
SCHEMBL17043093 0.86 P2RX3 (0.48) P2RX3POLBADAMTS4ADAMTS5HPGD
SCHEMBL1306630 0.86 P2RX3 (0.49) P2RX3KMT2AMEN1PREPADAMTS4
SCHEMBL1306633 0.86 P2RX3 (0.49) P2RX3KMT2AMEN1PREPADAMTS4

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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