SCHEMBL3873620

SCHEMBL3873620

CCCCC(CN(CC(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12)C(=O)O)N(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.64
▸ TGFBR1 P36897 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ DAPK1 P53355 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.31
▸ ADAMTS5 Q9UNA0 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL1307193 0.86 P2RX3 (0.67) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL3873617 0.84 P2RX3 (0.60) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1305462 0.84 P2RX3 (0.62) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1307318 0.83 P2RX3 (0.66) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL3852229 0.80 P2RX3 (0.59) P2RX3TGFBR1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1325290 0.80 P2RX3 (0.60) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1307194 0.80 P2RX3 (0.67) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1307321 0.79 P2RX3 (0.66) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1307191 0.79 P2RX3 (0.66) P2RX3TGFBR1KMT2AMEN1ALDH1A1
SCHEMBL1305722 0.79 P2RX3 (0.69) P2RX3TGFBR1KMT2AMEN1ALDH1A1

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 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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