SCHEMBL7138121

SCHEMBL7138121

CC(OC(=O)/C=C/c1ccco1)C(C)OC(=O)/C=C/c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 13/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
HCAR2 Q8TDS4 1/20 0.59
TDP1 Q9NUW8 5/20 0.58
ALDH1A1 P00352 7/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BLM P54132 2/20 0.52
NPC1 O15118 1/20 0.52
MCL1 Q07820 1/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL7138125 1.00 POLB (0.60) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL336288 0.92 POLB (0.59) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL23175323 0.92 POLB (0.59) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL7588375 0.84 POLB (0.62) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL7588372 0.84 POLB (0.62) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL1286936 0.83 POLB (0.67) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL1286940 0.83 POLB (0.67) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL7141083 0.82 HCAR2 (0.67) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL7141082 0.82 HCAR2 (0.67) POLBCACNA1BAPBA1HCAR2TDP1
SCHEMBL7140012 0.82 POLB (0.59) POLBCACNA1BAPBA1HCAR2TDP1

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
US-6506863-B2 Used as crosslinking agents for olefin polymers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-01-14 US claimed
US-20020137881-A1 Esters of 3-(2-furyl)-2propenoic acid with diols BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-09-26 US claimed
EP-1216999-A1 Esters of the 3-(2-furyl)-2-propenoic acid with diols Basell Poliolefine Italia S.p.A. (IT) 2002-06-26 EP claimed
US-6506863-B2 Used as crosslinking agents for olefin polymers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-01-14 US disclosed
US-20020137881-A1 Esters of 3-(2-furyl)-2propenoic acid with diols BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-09-26 US disclosed
EP-1216999-A1 Esters of the 3-(2-furyl)-2-propenoic acid with diols Basell Poliolefine Italia S.p.A. (IT) 2002-06-26 EP disclosed