SCHEMBL2362720

SCHEMBL2362720

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

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12548837 0.77 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1549986 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL28512587 0.76 CYP2D6 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL918555 0.73 CYP1A2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5526590 0.72
SCHEMBL180793 0.71 EPHX1 (0.36) ALDH1A1HSD17B10
SCHEMBL3690476 0.71 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10817181 0.71 MITF (0.33) ALDH1A1
SCHEMBL5796214 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL822722 0.70 ALDH1A1 (0.36) ALDH1A1HSD17B10

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