SCHEMBL23967284

SCHEMBL23967284

O=C(CCCC1CCC(O)C(O)CC1)NC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.62
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
NCOR2 Q9Y618 1/20 0.54
ALDH1A1 P00352 2/20 0.53
EPHX1 P07099 4/20 0.50
KMT2A Q03164 3/20 0.50
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.45
NAAA Q02083 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL24673607 0.90 HPGD (0.79) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL19255255 0.90 HPGD (0.79) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL14013741 0.83 HPGD (0.74) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL9337868 0.80 SMN1; SMN2 (0.95) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL28668503 0.80 SMN1; SMN2 (0.95) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL38658755 0.79 SMN1; SMN2 (0.91) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL30846691 0.77 HPGD (0.96) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL10587847 0.76 ALDH1A1 (0.83) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL7693790 0.75 SMN1; SMN2 (0.77) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL6549000 0.75 SMN1; SMN2 (0.84) HPGDSMN1; SMN2HDAC3HDAC1HDAC2

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
EP-3225627-B1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF UNIV NORTHWEST (CN) 2021-11-03 EP disclosed