SCHEMBL5079320

SCHEMBL5079320

C=C(C)c1cccc(C(C)(C)OOCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
ALPL P05186 1/20 0.36
GLA P06280 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3456096 0.84 MAPK1 (0.41) L3MBTL1TSHRLMNA
SCHEMBL1707006 0.82 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL13375856 0.81 MAPK1 (0.38) L3MBTL1TSHRLMNA
SCHEMBL16703328 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL545215 0.78 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL28237290 0.77 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL28944791 0.76 CACNA1B (0.36) L3MBTL1TSHRHTTLMNA
SCHEMBL166918 0.76 MAPK1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL9874577 0.75 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL13438649 0.74 MAPK1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869114-A4 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS VANDERBILT CO R T (US) 2008-06-18 EP claimed
EP-1869114-A2 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS R.T. Vanderbilt Company, Inc. (US) 2007-12-26 EP claimed
WO-2006113141-A2 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS R.T. VANDERBILT COMPANY, INC. (US) 2006-10-26 WO claimed
EP-1869114-A4 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS VANDERBILT CO R T (US) 2008-06-18 EP disclosed
EP-1869114-A2 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS R.T. Vanderbilt Company, Inc. (US) 2007-12-26 EP disclosed
WO-2006113141-A2 COMPOSITION AND METHOD FOR CURING LATEX COMPOUNDS R.T. VANDERBILT COMPANY, INC. (US) 2006-10-26 WO disclosed