SCHEMBL13814445

SCHEMBL13814445

CCCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD2 P14416 1/20 0.38
PLD1 Q13393 2/20 0.37
GLP1R P43220 8/20 0.36
OPRD1 P41143 1/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL14750406 0.92 SMN1; SMN2 (0.39) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL26032226 0.91 HPGD (0.43) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL25100591 0.91 SMN1; SMN2 (0.51) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL25875583 0.89 HPGD (0.46) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL21648778 0.89 CYP2C19 (0.36) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL25875243 0.88 SMN1; SMN2 (0.47) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL23760365 0.88 SMN1; SMN2 (0.47) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL27306806 0.86 SMN1; SMN2 (0.37) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL16118174 0.85 SMN1; SMN2 (0.38) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL26032028 0.85 HPGD (0.40) HPGDHTTSMN1; SMN2HDAC3HDAC4

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
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 US disclosed
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 US disclosed