SCHEMBL10177664

SCHEMBL10177664

COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.40
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10177713 0.94 HDAC6 (0.39) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL30209495 0.93 HDAC6 (0.41) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL16681996 0.92 HDAC6 (0.40) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL9908643 0.91 MMP2 (0.40) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL14978137 0.91 MMP2 (0.40) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL10177655 0.91 MMP2 (0.40) HDAC6SLC6A1SLC6A11NAMPTSMN1; SMN2
SCHEMBL24383294 0.91 SLC6A11 (0.42) SLC6A1SLC6A11CYP1A2CYP3A4
SCHEMBL9604514 0.91 SLC6A11 (0.42) SLC6A1SLC6A11CYP1A2CYP3A4
SCHEMBL16843276 0.91 SLC6A11 (0.42) SLC6A1SLC6A11CYP1A2CYP3A4
SCHEMBL17231722 0.91 SLC6A11 (0.42) SLC6A1SLC6A11CYP1A2CYP3A4

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-8106022-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed