SCHEMBL3832363

SCHEMBL3832363

CCCCN(C(=O)O)C1CCN(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 3/20 0.39
CCR5 P51681 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACKR3 P25106 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 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
SCHEMBL5510945 0.82 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL1613958 0.81 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ALMNAPTBP1
SCHEMBL3829259 0.80 OPRM1 (0.44) ALDH1A1KMT2ALMNAPTBP1UBE2M
SCHEMBL15825985 0.80 ALDH1A1 (0.33) ALDH1A1LMNAPTBP1KDM4EL3MBTL1
SCHEMBL5484262 0.76 NAAA (0.46) L3MBTL1CNR2
SCHEMBL1932588 0.74 L3MBTL1 (0.41) ALDH1A1LMNAPTBP1L3MBTL1UBE2M
SCHEMBL3818321 0.74 SLC6A4 (0.44) KCNH2L3MBTL1SIGMAR1
SCHEMBL3265703 0.73 KCNH2 (0.38) ALDH1A1MEN1KMT2AKCNH2CCR5
SCHEMBL9837028 0.72 ADH1A (0.48) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5027243 0.72 L3MBTL1 (0.39) ALDH1A1LMNAPTBP1L3MBTL1UBE2M

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