SCHEMBL20705909

SCHEMBL20705909

CCOC(C)(C)CCC(=O)NCCN1C(=O)CC(S)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL19185408 0.91 HPGD (0.33) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL20705908 0.83 CASP2 (0.39) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL24308502 0.79 MTNR1A (0.45) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20926880 0.79 HPGD (0.33) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL26739988 0.78 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19928723 0.78 HPGD (0.33) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL18431336 0.76 ALDH1A1 (0.32) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL23056737 0.76 HSD17B10 (0.34) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL23226171 0.76 TP53 (0.41) HPGDHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL19721671 0.76 — —

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-10196631-B2 Cell separation method using a release system for cell-antibody-substrate conjugates containing a polyethylene glycol spacer unit MILTENYI BIOTEC GMBH (DE) 2019-02-05 — — US disclosed
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