SCHEMBL562273

SCHEMBL562273

COc1ccc(C(=O)CC(S)CC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.65
HDAC4 P56524 2/20 0.65
HDAC1 Q13547 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC5 Q9UQL6 2/20 0.65
GSK3B P49841 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
PDE4B Q07343 1/20 0.53
CA1 P00915 3/20 0.52

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
SCHEMBL3830886 0.83 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31274111 0.81 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19642535 0.81 GSK3B (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL28047842 0.81 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
1,4-Dimethoxybenzene SCHEMBL11828517 0.81 LDHA (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5195610 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5193896 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5196879 0.80 GSK3B (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29270113 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5197873 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729215-B2 Sacrificial polymer compositions including polycarbonates having repeat units derived from stereospecific polycyclic 2,3-diol monomers PROMERUS, LLC (US) 2014-05-20 US claimed
US-20140024799-A1 Sacrificial Polymer Compositions Including Polycarbonates Having Repeat Units Derived From Stereospecific Polycyclic 2,3-Diol Monomers PROMERUS, LLC (US) 2014-01-23 US claimed
US-8575297-B2 Sacrificial polymer compositions including polycarbonates having repeat units derived from stereospecific polycyclic 2,3-diol monomers Promerus, LCC (US) 2013-11-05 US claimed
EP-2601238-A1 SACRIFICIAL POLYMER COMPOSITIONS INCLUDING POLYCARBONATES HAVING REPEAT UNITS DERIVED FROM STEREOSPECIFIC POLYCYCLIC 2,3-DIOL MONOMERS Promerus, LLC (US) 2013-06-12 EP claimed
US-20120031556-A1 Sacrificial Polymer Compositions Including Polycarbonates Having Repeat Units Derived from Stereospecific Polycyclic 2,3-Diol Monomers PROMERUS LLC (US) 2012-02-09 US claimed
WO-2012019091-A1 SACRIFICIAL POLYMER COMPOSITIONS INCLUDING POLYCARBONATES HAVING REPEAT UNITS DERIVED FROM STEREOSPECIFIC POLYCYCLIC 2,3-DIOL MONOMERS PROMERUS LLC (US) 2012-02-09 WO claimed
US-8729166-B2 Polymer composition for microelectronic assembly PROMERUS, LLC (US) 2014-05-20 US disclosed
US-20140024750-A1 Polymer Composition for Microelectronic Assembly PROMERUS, LLC (US) 2014-01-23 US disclosed
US-8575248-B2 Polymer composition for microelectronic assembly PROMERUS, LLC (US) 2013-11-05 US disclosed
EP-2601239-A1 POLYMER COMPOSITION FOR MICROELECTRONIC ASSEMBLY Promerus, LLC (US) 2013-06-12 EP disclosed
US-20120034387-A1 Polymer Composition for Microelectronic Assembly PROMERUS LLC (US) 2012-02-09 US disclosed
WO-2012019092-A1 POLYMER COMPOSITION FOR MICROELECTRONIC ASSEMBLY PROMERUS LLC (US) 2012-02-09 WO disclosed