SCHEMBL2875679

SCHEMBL2875679

CCOC(=O)C(CS)CCCS

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.69
FOLH1 Q04609 5/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
CPN1 P15169 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
SCHEMBL2880166 0.94 CPB2 (0.72) CPB2FOLH1CA1CA2KMT2A
SCHEMBL2877702 0.88 CPB2 (0.62) CPB2FOLH1KMT2AMEN1NPC1
SCHEMBL10889572 0.85 CPB2 (0.75) CPB2CA1CA2
SCHEMBL9870935 0.85 CPB2 (0.75) CPB2CA1CA2
SCHEMBL9205624 0.83 CPB2 (0.62) CPB2CA1CA2KMT2AMEN1
SCHEMBL2875105 0.83 CPB2 (0.60) CPB2FOLH1KMT2AMEN1NPC1
SCHEMBL2880189 0.82 CA1 (0.52) CPB2FOLH1CA1CA2KMT2A
SCHEMBL6739813 0.79 CPB2 (0.56) CPB2CA1CA2KMT2AMEN1
SCHEMBL2877699 0.79 CPB2 (0.52) CPB2FOLH1KMT2AMEN1NPC1
SCHEMBL9814806 0.78 CPB2 (0.57) CPB2FOLH1KMT2AMEN1NPC1

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