SCHEMBL3108145

SCHEMBL3108145

CCOC(=S)SC(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
CYP2D6 P10635 1/20 0.50
POLB P06746 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CPB1 P15086 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 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
SCHEMBL24981804 0.76 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15CYP3A4HSD17B10
SCHEMBL264599 0.76 ALDH1A1 (0.50) ALDH1A1CYP2D6ALOX15HSD17B10HDAC3
SCHEMBL10898378 0.75 ALDH1A1 (0.38) ALDH1A1CYP2D6POLBHDAC3HDAC4
SCHEMBL15133333 0.72 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP2C19CYP3A4
SCHEMBL3615673 0.71 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15HSD17B10HDAC3
SCHEMBL19257458 0.71 CPB1 (0.38) ALDH1A1POLBCYP2C19CYP2C9SMN1; SMN2
SCHEMBL6658391 0.71 CPB1 (0.46) ALDH1A1POLBCYP2C19CYP2C9SMN1; SMN2
SCHEMBL15133332 0.70 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP2C19ALOX15CYP3A4
SCHEMBL20211138 0.70 ALDH1A1 (0.49) ALDH1A1CYP2D6HSD17B10HDAC3HDAC4
SCHEMBL233153 0.70 TDP1 (0.40) ALDH1A1POLBCYP2C19CYP2C9SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333942-A1 POLYMERISATION PROCESS AND POLYMER PRODUCT THE UNIVERSITY OF SYDNEY (AU) 2017-11-23 US disclosed
US-9731321-B2 Polymerisation process and polymer product THE UNIVERSITY OF SYDNEY (AU) 2017-08-15 US disclosed
US-20130136848-A1 POLYMERISATION PROCESS AND POLYMER PRODUCT THE UNIVERSITY OF SYDNEY (AU) 2013-05-30 US disclosed
EP-1802662-B1 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT UNIV SYDNEY (AU) 2013-01-23 EP disclosed
EP-2172491-A1 Polymer obtained by the use of RAFT-agents and process of encapsulating of particulate material by said polymer. The University of Sydney (AU) 2010-04-07 EP disclosed
EP-1802662-A4 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT UNIV SYDNEY (AU) 2009-08-26 EP disclosed
US-20080268250-A1 Polymerisation Process and Polymer Product THE UNIVERSITY OF SYDNEY (AU) 2008-10-30 US disclosed
EP-1802662-A1 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT The University of Sydney (AU) 2007-07-04 EP disclosed
WO-2006037161-A1 SURFACE POLYMERISATION PROCESS AND POLYMER PRODUCT USING RAFT AGENT THE UNIVERSITY OF SYDNEY (AU) 2006-04-13 WO disclosed