SCHEMBL3832634

SCHEMBL3832634

CCCC(F)OC(=O)N(CCCn1ccnc1)CC(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ TBXAS1 P24557 3/20 0.37
▸ NAMPT P43490 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.34

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
SCHEMBL1306380 0.86 FNTA (0.40) L3MBTL1ALDH1A1PKMFNTAFNTB
SCHEMBL1306377 0.86 FNTA (0.40) L3MBTL1ALDH1A1PKMFNTAFNTB
SCHEMBL1306374 0.86 FNTA (0.40) L3MBTL1ALDH1A1PKMFNTAFNTB
SCHEMBL3834922 0.85 P2RX3 (0.39) ALDH1A1KMT2AKDM4EP2RX3TSHR
SCHEMBL3834741 0.81 MEN1 (0.38) ALDH1A1KMT2AKDM4EP2RX3TSHR
SCHEMBL3832337 0.81 LPAR1 (0.40) KMT2AP2RX3TSHRLMNA
SCHEMBL3832922 0.79 P2RX3 (0.38) ALDH1A1CASP1KMT2AKDM4EP2RX3
SCHEMBL3826815 0.79 TRPM8 (0.38) ALDH1A1PKMKMT2AKDM4EP2RX3
SCHEMBL1307064 0.78 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMFNTAFNTB
SCHEMBL1307062 0.78 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMFNTAFNTB

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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