SCHEMBL6353053

SCHEMBL6353053

Cc1cc(N(CC2CO2)CC2CO2)ccc1-c1ccc(N(CC2CO2)CC2CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OXTR P30559 4/20 0.37
AVPR1A P37288 4/20 0.37
ESR2 Q92731 2/20 0.34
AVPR2 P30518 1/20 0.33
AVPR1B P47901 1/20 0.33
S100B P04271 1/20 0.33
HSD17B1 P14061 1/20 0.33
ESR1 P03372 1/20 0.33
RORC P51449 1/20 0.32
S1PR1 P21453 1/20 0.32
LMNA P02545 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 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
SCHEMBL9638549 0.93 ESR2 (0.43) MEN1KMT2AOXTRAVPR1AESR2
SCHEMBL29780253 0.90 MEN1 (0.42) MEN1KMT2AOXTRAVPR1AESR2
SCHEMBL1976230 0.90 MEN1 (0.42) MEN1KMT2AOXTRAVPR1AESR2
SCHEMBL1644073 0.82 MEN1 (0.43) MEN1KMT2AS100BS1PR1LMNA
SCHEMBL1643921 0.81 MEN1 (0.40) MEN1KMT2ALMNA
Methane SCHEMBL20484194 0.79 MEN1 (0.39) MEN1KMT2ALMNA
SCHEMBL132721 0.79 MEN1 (0.43) MEN1KMT2ALMNA
SCHEMBL232952 0.78 MEN1 (0.57) MEN1KMT2ALMNA
SCHEMBL9320546 0.78 MEN1 (0.40) MEN1KMT2AS100BS1PR1LMNA
SCHEMBL9418783 0.78 MEN1 (0.40) MEN1KMT2AESR2S100BESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567835-A1 Electrically conductive abrasion resistant polymeric materials, their fabrication and uses thereof International Business Machines Corporation (US) 1993-11-03 EP claimed
EP-2810987-B1 EPOXY RESIN COMPOSITION AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2016-03-30 EP disclosed
EP-2888316-A1 COMPOSITE MATERIAL WITH POLYMIDE PARTICLES Hexcel Corporation (US) 2015-07-01 EP disclosed
US-20150177567-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-06-25 US disclosed
WO-2014035598-A1 COMPOSITE MATERIAL WITH POLYMIDE PARTICLES HEXCEL CORPORATION (US) 2014-03-06 WO disclosed
US-6902811-B2 Epoxy resin composition excellent in weather resistance and fiber-reinforced composite materials TORAY INDUSTRIES, INC. (JP) 2005-06-07 US disclosed
EP-1438289-A1 INDOLE DERIVATIVES AS COX II INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-07-21 EP disclosed
WO-2003072673-A2 ADHESIVE COMPOSITIONS CONTAINING ORGANIC SPACERS AND METHODS FOR USE THEREOF HENKEL LOCTITE CORPORATION (US) 2003-09-04 WO disclosed
WO-2003029212-A1 INDOLE DERIVATIVES AS COX II INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed
US-5721299-A BLENDS WITH SOLVENT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-02-24 US disclosed