SCHEMBL2902789

SCHEMBL2902789

CC(C)CCCCCCCCCCCCCCCOCc1ccc(C=O)o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 3/20 0.37
EPAS1 Q99814 3/20 0.37
RARB P10826 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 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 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHIF1AEPAS1RARB
SCHEMBL2801305 0.88 ALDH1A1 (0.46) ALDH1A1TSHRHTTL3MBTL1GAA
Aes-103 SCHEMBL3057795 0.86 ALDH1A1 (0.58) ALDH1A1TSHRHIF1AEPAS1RARB
SCHEMBL2899979 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL2900095 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL25207012 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL2894583 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL1664842 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL14715643 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT
SCHEMBL2896615 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AEPAS1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197866-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2013-02-27 EP claimed
US-20100218415-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
EP-2197866-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030507-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed