SCHEMBL2877699

SCHEMBL2877699

CCOC(=O)C(CCS)CCS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.52
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FOLH1 Q04609 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL28091281 0.94 CPB2 (0.47) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL16063866 0.94 CPB2 (0.47) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL17523698 0.94 CPB2 (0.47) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL10578076 0.91 CPB2 (0.49) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL2877702 0.91 CPB2 (0.62) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL16063809 0.82 CPB2 (0.46) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL6809900 0.81 CPB2 (0.43) CPB2ALDH1A1KMT2AMEN1LMNA
SCHEMBL4726173 0.80 HDAC1 (0.52) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL2875105 0.80 CPB2 (0.60) CPB2ALDH1A1KMT2AMEN1NPC1
SCHEMBL6742890 0.79 CPB2 (0.42) CPB2ALDH1A1KMT2AMEN1NPC1

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-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed