SCHEMBL3820610

SCHEMBL3820610

CON(C/C(=C/c1ccc(C(=O)NO)cc1)COc1cccc2ccccc12)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ OGG1 O15527 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37

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
SCHEMBL5795711 0.81 P2RX3 (0.57) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306014 0.81 P2RX3 (0.53) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306019 0.81 P2RX3 (0.53) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306017 0.81 P2RX3 (0.53) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306259 0.81 P2RX3 (0.55) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306263 0.81 P2RX3 (0.55) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306267 0.81 P2RX3 (0.55) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1305152 0.79 P2RX3 (0.49) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306876 0.79 P2RX3 (0.57) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306873 0.79 P2RX3 (0.57) P2RX3ALDH1A1MAPTGAATSHR

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 claimed
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 claimed
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