SCHEMBL2801305

SCHEMBL2801305

CC(C)CCOCc1ccc(C=O)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.33
ALOX5 P09917 2/20 0.33
MDM2 Q00987 1/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
STAT1 P42224 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 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
SCHEMBL3057793 0.88 ALDH1A1 (0.41) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL2902789 0.88 ALDH1A1 (0.41) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL17693406 0.85 ALDH1A1 (0.57) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL1664017 0.84 ALDH1A1 (0.49) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL697080 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL278333 0.81 ALDH1A1 (0.61) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL19670017 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL135809 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL18657362 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL18084868 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHTTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100212217-A1 Reacting 5-hydroxymethylfurfural and olefin with acid catalyst; use as biofuel or renewable fuel additive; e.g. 5-(hydroxymethyl)furfural tert-butyl ether FURANIX TECHNOLOGIES B.V. (NL) 2010-08-26 US claimed
EP-2197865-A2 HYDROXYMETHYLFURFURAL ETHERS FROM HMF AND OLEFINS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030505-A2 HYDROXYMETHYLFURFURAL ETHERS FROM HMF AND OLEFINS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed