SCHEMBL4743388

SCHEMBL4743388

CCOC(OCC)c1ccc(CNCCCCNC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
KDM4E B2RXH2 2/20 0.44
CHRM2 P08172 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR1 P21453 3/20 0.41

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
SCHEMBL4743996 0.84 CA1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21670744 0.82 GLA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14068323 0.81 CYP1A2 (0.45) KDM4ECHRM2CYP2D6CYP1A2CYP2C19
SCHEMBL2356251 0.80 LMNA (0.47) KDM4ECHRM2CYP2D6CYP1A2CYP2C19
SCHEMBL5591066 0.79 BCHE (0.47) KDM4EBCHEACHEPTGS2S1PR1
SCHEMBL6228744 0.75 ACHE (0.42) KDM4EBCHEACHEPTGS2CYP2D6
SCHEMBL21670745 0.75 TSHR (0.50) BCHEACHEPTGS2SMN1; SMN2LMNA
SCHEMBL28805745 0.74 CHRM2 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14739541 0.73 CHRM2 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8345386 0.73 L3MBTL1 (0.41) HDAC1KDM4ECHRM2BCHEACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed