SCHEMBL2634577

SCHEMBL2634577

CC(=O)SC(=O)CCN1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
TSHR P16473 1/20 0.35
ALPL P05186 1/20 0.34
HSD17B10 Q99714 2/20 0.33
FGF2 P09038 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL43959 0.81 TSHR (0.39) SMN1; SMN2HPGDHTTALDH1A1MEN1
Hydrochloric Acid SCHEMBL17595174 0.79 TSHR (0.38) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL10495316 0.78 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTALDH1A1MAPT
Hydroxyamine SCHEMBL3213770 0.78 TSHR (0.37) SMN1; SMN2HPGDALDH1A1POLBMEN1
SCHEMBL24287571 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL23615406 0.73 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL16847757 0.72 SMN1; SMN2 (0.55) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL21322473 0.72 SMN1; SMN2 (0.55) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL57076 0.71 ALDH1A1 (0.54) SMN1; SMN2HPGDHTTALDH1A1POLB
SCHEMBL9182492 0.70 L3MBTL1 (0.43) SMN1; SMN2HPGDHTTALDH1A1MAPT

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
EP-2571529-A2 FUNCTIONAL, CROSS-LINKED NANOSTRUCTURES FOR TANDEM OPTICAL IMAGING AND THERAPY Mallinckrodt LLC (US) 2013-03-27 EP disclosed
WO-2011143524-A2 FUNCTIONAL, CROSS-LINKED NANOSTRUCTURES FOR TANDEM OPTICAL IMAGING AND THERAPY MALLINCKRODT LLC (US) 2011-11-17 WO disclosed