SCHEMBL4446486

SCHEMBL4446486

CC/C(C)=C/C=C/C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
PTGS1 P23219 1/20 0.32
PTPN1 P18031 1/20 0.32
FFAR3 O14843 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL5085205 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL4446487 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL4451963 0.83 ALDH1A1 (0.39) ALDH1A1TDP1TSHRALOX15RECQL
SCHEMBL4451959 0.83 ALDH1A1 (0.39) ALDH1A1TDP1TSHRALOX15RECQL
SCHEMBL10621025 0.82 NR1I2 (0.49) ALDH1A1MEN1MAPTKMT2AALOX15
SCHEMBL10621022 0.82 NR1I2 (0.49) ALDH1A1MEN1MAPTKMT2AALOX15
SCHEMBL28742842 0.80 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL4227982 0.79 NR1I2 (0.34) NR1I2LMNAPGR
SCHEMBL4227977 0.79 NR1I2 (0.34) NR1I2LMNAPGR
SCHEMBL24835143 0.76 NR1I2 (0.31) NR1I2LMNAPGRPTGS1

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
EP-2109597-A1 PROCESS FOR PREPARING DIENONES DSM IP Assets B.V. (NL) 2009-10-21 EP claimed
WO-2008092655-A1 PROCESS FOR PREPARING DIENONES DSM IP ASSETS B.V. (NL) 2008-08-07 WO claimed
EP-1953134-A1 Process for preparing dienones DSM IP Assets B.V. (NL) 2008-08-06 EP claimed
EP-2109597-A1 PROCESS FOR PREPARING DIENONES DSM IP Assets B.V. (NL) 2009-10-21 EP disclosed
WO-2008092655-A1 PROCESS FOR PREPARING DIENONES DSM IP ASSETS B.V. (NL) 2008-08-07 WO disclosed
EP-1953134-A1 Process for preparing dienones DSM IP Assets B.V. (NL) 2008-08-06 EP disclosed
EP-1953134-A1 Process for preparing dienones DSM IP Assets B.V. (NL) 2008-08-06 EP disclosed