SCHEMBL6894911

SCHEMBL6894911

C=C(C)C(=O)N(CCO)CCOCc1cccc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 3/20 0.34
HPGD P15428 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
SCHEMBL2495694 0.80 HDAC4 (0.43) ALDH1A1FFAR1FFAR4HDAC4HDAC2
SCHEMBL430965 0.76 ABL1 (0.46) FFAR1FFAR4HDAC4HDAC2HDAC8
SCHEMBL2489138 0.74 MAOB (0.40) FFAR1FFAR4HDAC4HDAC2HDAC8
SCHEMBL6884179 0.70 SLC6A11 (0.43) MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3024594 0.70 FFAR1 (0.42) MAPTALDH1A1HTTFFAR1FFAR4
SCHEMBL2489493 0.69 HDAC4 (0.50) HTTFFAR1FFAR4HDAC4HDAC2
SCHEMBL9959026 0.68 ABL1 (0.46) FFAR1FFAR4HDAC4HDAC2HDAC8
SCHEMBL2494971 0.68 MEN1 (0.50) ALDH1A1HDAC4HDAC2HDAC8MEN1
SCHEMBL6409694 0.67 FFAR4 (0.54) FFAR1FFAR4
SCHEMBL5385988 0.67 BCL9 (0.46) MAPTALDH1A1MEN1KMT2ALMNA

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
US-20040241713-A1 Composition for immobilization of biological macromolecules in hydrogels, a method for preparing a composition, a biochip, and a method for performing the PCR over biochip INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELGARDTA ROSSIISKOI AKADEMII NAUK 2004-12-02 US disclosed