SCHEMBL9906799

SCHEMBL9906799

CC(C)(C)OC(=O)C(C)(Br)CC(C)(C)C(=O)OCCSSc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HDAC1 Q13547 10/20 0.35
HDAC2 Q92769 10/20 0.35
ALDH1A1 P00352 2/20 0.34
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 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
SCHEMBL9906791 0.90 HDAC1 (0.37) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL13866552 0.84 HDAC1 (0.38) LMNAHDAC1HDAC2SMN1; SMN2
SCHEMBL9906790 0.83 LMNA (0.32) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL12695600 0.83 HDAC1 (0.35) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL20272385 0.83 LMNA (0.44) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL9906788 0.83 LMNA (0.43) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL20998965 0.82 LMNA (0.42) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL18622527 0.81 LMNA (0.44) LMNAHDAC1HDAC2ALDH1A1EHMT2
SCHEMBL9906798 0.81 KDM4C (0.37) LMNAHDAC1HDAC2ALDH1A1MAPT
SCHEMBL26457007 0.78 LMNA (0.39) LMNAHDAC1HDAC2ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546488-B2 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation UNIVERSITY OF MASSACHUSETTS (US) 2013-10-01 US disclosed
US-20120245244-A1 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation NATIONAL SCIENCE FOUNDATION 2012-09-27 US disclosed
US-8198368-B2 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation UNIVERSITY OF MASSACHUSETTS (US) 2012-06-12 US disclosed
US-20090105427-A1 Cleavable Block Copolymers, Functionalized Nanoporous Thin Films and Related Methods of Preparation UNIVERSITY OF MASSACHUSETTS 2009-04-23 US disclosed