SCHEMBL3826815

SCHEMBL3826815

CCCC(F)OC(=O)N(CC(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12)Cc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 7/20 0.38
▸ TSHR P16473 3/20 0.36
▸ P2RX3 P56373 2/20 0.36
▸ DAPK1 P53355 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL3834922 0.86 P2RX3 (0.39) TSHRP2RX3DAPK1PIM3ALDH1A1
SCHEMBL1306741 0.85 TRPM8 (0.39) TRPM8TSHRP2RX3DAPK1PIM3
SCHEMBL1306740 0.85 TRPM8 (0.39) TRPM8TSHRP2RX3DAPK1PIM3
SCHEMBL1306736 0.85 TRPM8 (0.39) TRPM8TSHRP2RX3DAPK1PIM3
SCHEMBL3832922 0.83 P2RX3 (0.38) TSHRP2RX3DAPK1PIM3ALDH1A1
SCHEMBL3834741 0.83 MEN1 (0.38) TSHRP2RX3DAPK1PIM3ALDH1A1
SCHEMBL3832337 0.82 LPAR1 (0.40) TSHRP2RX3DAPK1PIM3POLB
SCHEMBL3832634 0.79 L3MBTL1 (0.38) TSHRP2RX3ALDH1A1KMT2APKM
SCHEMBL3832556 0.77 P2RX3 (0.42) TSHRP2RX3DAPK1PIM3
SCHEMBL1306899 0.75 CYP1A2 (0.42) TSHRP2RX3DAPK1PIM3CYP1A2

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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