SCHEMBL3834731

SCHEMBL3834731

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.45
▸ SCN9A Q15858 5/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ ADAMTS5 Q9UNA0 2/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ PREP P48147 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ SCN5A Q14524 1/20 0.33

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
SCHEMBL1306255 0.92 P2RX3 (0.46) P2RX3EPHX2ADAMTS5ADAMTS4ALDH1A1
SCHEMBL1306257 0.92 P2RX3 (0.46) P2RX3EPHX2ADAMTS5ADAMTS4ALDH1A1
SCHEMBL1305517 0.86 P2RX3 (0.46) P2RX3EPHX2ADAMTS5ADAMTS4MAPT
SCHEMBL1305514 0.86 P2RX3 (0.46) P2RX3EPHX2ADAMTS5ADAMTS4MAPT
SCHEMBL1305917 0.86 P2RX3 (0.45) P2RX3ADAMTS5ADAMTS4ALDH1A1
SCHEMBL1305915 0.86 P2RX3 (0.45) P2RX3ADAMTS5ADAMTS4ALDH1A1
SCHEMBL1306690 0.85 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4MAPTALDH1A1
SCHEMBL1306688 0.85 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4MAPTALDH1A1
SCHEMBL3833477 0.85 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4ALDH1A1PREP
SCHEMBL1307169 0.85 P2RX3 (0.55) P2RX3ADAMTS5ADAMTS4ALDH1A1PREP

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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