SCHEMBL4836364

SCHEMBL4836364

[CH2][C](SC(=S)OCC)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP2D6 P10635 2/20 0.43
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPT P10636 4/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6291297 0.75 ALDH1A1 (0.47) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3588443 0.72 ALDH1A1 (0.50) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL10963692 0.71 ALDH1A1 (0.52) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL8844675 0.71
SCHEMBL27768690 0.70 ALDH1A1 (0.50) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL28460835 0.69 ALDH1A1 (0.46) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL17085768 0.69 ALDH1A1 (0.46) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL28393816 0.67 ALDH1A1 (0.47) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL1071060 0.67 ALDH1A1 (0.56) ALDH1A1CYP2D6GAAMGAMSI
SCHEMBL7197331 0.65 ALDH1A1 (0.50) ALDH1A1CYP2D6HDAC3HDAC4HDAC1

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
US-7378033-B2 Crease-resistant composition comprising a copolymer of controlled architecture, for articles made of textile fibers RHODIA CHIMIE (FR) 2008-05-27 US disclosed
US-20070094809-A1 Anti-creasing composition comprising a copolymer having a controlled architecture, for items consisting of textile fibres RHODIA CHIMIE (FR) 2007-05-03 US disclosed