SCHEMBL1286830

SCHEMBL1286830

CCCN(O)C(CCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TET2 Q6N021 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM4A O75164 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
FOLH1 Q04609 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL2639593 1.00 CYP1A2 (0.42) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL11659223 0.85 KMT2A (0.42) CYP1A2HDAC1HDAC2GRIK1SLC1A3
SCHEMBL10828944 0.85 KMT2A (0.42) CYP1A2HDAC1HDAC2GRIK1SLC1A3
SCHEMBL4655463 0.84 CYP1A2 (0.45) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL7701636 0.84 CYP1A2 (0.45) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL11551742 0.82 CYP1A2 (0.43) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL11551747 0.82 CYP1A2 (0.43) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL10824581 0.79 CYP1A2 (0.41) CYP1A2HDAC1HDAC2FFAR3HDAC3
SCHEMBL2984814 0.75 CYP1A2 (0.48) CYP1A2TET2KDM4CKDM4AKDM2A
SCHEMBL2984816 0.75 CYP1A2 (0.48) CYP1A2TET2KDM4CKDM4AKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761789-B2 Silk-based piezoelectric materials TUFTS UNIVERSITY (US) 2017-09-12 US disclosed
US-20140145365-A1 SILK-BASED PIEZOELECTRIC MATERIALS TUFTS UNIVERSITY (US) 2014-05-29 US disclosed
EP-2622663-A2 SILK-BASED PIEZOELECTRIC MATERIALS Tufts University/Trustees of Tufts College (US) 2013-08-07 EP disclosed
WO-2012047682-A2 SILK-BASED PIEZOELECTRIC MATERIALS TUFTS UNIVERSITY TRUSTEES OF TUFTS COLLEGE (US) 2012-04-12 WO disclosed
US-5484584-A DRUG DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-01-16 US disclosed
EP-0649302-A1 THERAPEUTIC AND DIAGNOSTIC USE OF MODIFIED POLYMERIC MICROCAPSULES WALLACE, Sidney (US) 1995-04-26 EP disclosed
WO-1994002106-A1 THERAPEUTIC AND DIAGNOSTIC USE OF MODIFIED POLYMERIC MICROCAPSULES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-02-03 WO disclosed