SCHEMBL2362804

SCHEMBL2362804

C=CCSC(=S)SC(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL1286932 0.77 ALDH1A1 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL760267 0.76 ALDH1A1 (0.52) ALDH1A1
SCHEMBL19563728 0.75 ALDH1A1 (0.39) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10030122 0.74 ALDH1A1 (0.41) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17461346 0.73 CYP1A2 (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8837482 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13013593 0.71 ALDH1A1 (0.39) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13730363 0.71 ALDH1A1 (0.39) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10817181 0.71 MITF (0.33) ALDH1A1
SCHEMBL5796214 0.71 ALDH1A1 (0.42) ALDH1A1

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-8598289-B2 Amphiphilic block copolymer and method for preparing same UNIVERSITE PIERRE ET MARIE CURIE (FR) 2013-12-03 US disclosed
US-20110207881-A1 AMPHIPHILIC BLOCK COPOLYMER AND METHOD FOR PREPARING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-08-25 US disclosed