SCHEMBL17043181

SCHEMBL17043181

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(C2CC2)C1)NOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.48
▸ PREP P48147 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ OGG1 O15527 1/20 0.34
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SIGMAR1 Q99720 6/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MCL1 Q07820 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
SCHEMBL17043184 1.00 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307282 0.96 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307287 0.96 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306458 0.95 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306464 0.95 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL2893541 0.92 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL2893536 0.92 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306091 0.91 P2RX3 (0.46) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306086 0.91 P2RX3 (0.46) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307169 0.91 P2RX3 (0.55) P2RX3PREPALDH1A1ADAMTS4ADAMTS5

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 1 patent. 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
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