SCHEMBL8177448

SCHEMBL8177448

N[C@H](CCCCCCCNC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
EPHX2 P34913 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
KMT2A Q03164 6/20 0.57
NAMPT P43490 1/20 0.55
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 2/20 0.53

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
SCHEMBL18142931 0.99 SMN1; SMN2 (0.62) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL2240238 0.95 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL2240242 0.95 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL1769623 0.89 EPHX2 (0.70) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL1769619 0.89 EPHX2 (0.70) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL8177454 0.84 SMN1; SMN2 (0.56) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL8177140 0.84 SMN1; SMN2 (0.59) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL8177757 0.82 SMN1; SMN2 (0.60) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL24011624 0.81 SMN1; SMN2 (0.70) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL22170879 0.81 SMN1; SMN2 (0.70) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1

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-6051584-A Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-04-18 US disclosed