SCHEMBL4599329

SCHEMBL4599329

O=C(O)CCC1(CO)CC(Cc2ccccc2)=NO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.41
KEAP1 Q14145 1/20 0.36
LTB4R Q15722 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
HDAC3 O15379 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34
HDAC4 P56524 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL4598996 0.86 SORT1 (0.40) SORT1KEAP1LTB4RATMMEN1
SCHEMBL4598331 0.86 SORT1 (0.42) SORT1ADRA1ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14288129 0.61 AKR1B1 (0.50) SORT1KEAP1HDAC3MAPK1ADRA1A
Diphenylmethane SCHEMBL10702233 0.60 MAPT (0.69) KEAP1LTB4RHDAC3MAPK1ADRA1A
SCHEMBL11963994 0.59 SORT1 (1.00) SORT1ADRA1ASMN1; SMN2MEN1ALDH1A1
SCHEMBL24518108 0.58 POLB (0.49) SORT1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2774503 0.57 FFAR1 (0.83) KEAP1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8637270 0.57 KEAP1 (0.46) KEAP1HDAC3MAPK1ADRA1AHDAC4
Diphenylmethane SCHEMBL5607610 0.57 CALM1 (0.75) KEAP1HDAC8HDAC6MEN1KMT2A
Diphenylmethane SCHEMBL29127396 0.57 CALM1 (0.75) KEAP1HDAC8HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404661-B1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA SPA (IT) 2008-04-09 EP disclosed
US-7019154-B2 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2006-03-28 US disclosed
US-20040127728-A1 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2004-07-01 US disclosed
EP-1404661-A1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA S.p.A. (IT) 2004-04-07 EP disclosed
WO-2002090341-A1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA S.P.A. (IT) 2002-11-14 WO disclosed