SCHEMBL19355685

SCHEMBL19355685

CC(C)NC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ FOLH1 Q04609 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL22459523 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL24822610 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL23515744 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHDAC1HDAC3HDAC4
SCHEMBL22989393 0.82 HDAC1 (0.42) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL22476493 0.82 HDAC1 (0.40) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL14670750 0.82 HDAC1 (0.37) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL22456058 0.81 SMN1; SMN2 (0.36) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL17896922 0.81 SMN1; SMN2 (0.36) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL10283656 0.81 HPGD (0.50) SMN1; SMN2HTTHPGDHDAC1HDAC3
SCHEMBL19704167 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDHDAC1HDAC3

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-2017153432-A1 A NEW UNIVERSAL METHOD TO CAPTURE AND ANALYZE ADCS FOR CHARACTERIZATION OF DRUG DISTRIBUTION AND THE DRUG-TO-ANTIBODY RATIO IN BIOLOGICAL SAMPLES PIERRE FABRE MEDICAMENT (FR) 2017-09-14 — — WO disclosed
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