SCHEMBL2118228

SCHEMBL2118228

CCCC(=CC=CC#N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8824617 0.89 APEX1 (0.36) GRIK1CES2CES1
SCHEMBL367382 0.85 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL148171 0.76 HDAC1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16671424 0.76 GRIK1 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16671425 0.76 GRIK1 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL148170 0.76 HDAC1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6817925 0.76 ALDH1A1 (0.38)
SCHEMBL8846511 0.74
SCHEMBL3148391 0.71 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL793261 0.70 PTGS1 (0.48)

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
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP claimed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO claimed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP claimed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO claimed
US-9356292-B2 Radical composition and battery using same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2016-05-31 US disclosed
US-20140061532-A1 RADICAL COMPOSITION AND BATTERY USING SAME WASEDA UNIVERSITY (JP) 2014-03-06 US disclosed
EP-2212247-B1 PROCESS FOR THE PREPARATION OF CRYSTALLINE LITHIUM-, VANADIUM- AND PHOSPHATE-COMPRISING MATERIALS BASF SE (DE) 2013-07-17 EP disclosed
US-20120095179-A1 PYRROLINE-BASED NITROXIDE POLYMER AND BATTERY USING SAME WASEDA UNIVERSITY (JP) 2012-04-19 US disclosed
US-5643387-A Instant color sublimation transfers PENROSE LUCAS ALBRIGHT 1997-07-01 US disclosed