SCHEMBL3832922

SCHEMBL3832922

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ DAPK1 P53355 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR5 Q9H1C0 1/20 0.31
▸ ATM Q13315 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
SCHEMBL3834922 0.86 P2RX3 (0.39) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL1306757 0.86 P2RX3 (0.39) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL1306759 0.86 P2RX3 (0.39) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL1306931 0.86 P2RX3 (0.39) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL3831385 0.86 TSHR (0.38) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL3826815 0.83 TRPM8 (0.38) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL3834741 0.83 MEN1 (0.38) P2RX3TSHRDAPK1PIM3HPGD
SCHEMBL3832337 0.83 LPAR1 (0.40) P2RX3TSHRDAPK1PIM3KMT2A
SCHEMBL3832634 0.79 L3MBTL1 (0.38) P2RX3TSHRKDM4EALDH1A1KMT2A
SCHEMBL3832556 0.78 P2RX3 (0.42) P2RX3TSHRDAPK1PIM3

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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