SCHEMBL4299568

SCHEMBL4299568

O=Cc1ccc(COCCO)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TSHR P16473 1/20 0.59
TP53 P04637 2/20 0.35
MDM2 Q00987 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
STAT1 P42224 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 6/20 0.33
POLB P06746 5/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL18066379 0.97 ALDH1A1 (0.56) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL4301950 0.90 ALDH1A1 (0.56) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL17693406 0.89 ALDH1A1 (0.57) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL4300666 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53MDM2L3MBTL1
Aes-103 SCHEMBL4301696 0.86 ALDH1A1 (0.76) ALDH1A1TSHRTP53L3MBTL1HTT
SCHEMBL278333 0.85 ALDH1A1 (0.61) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL697080 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL19670017 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL18084868 0.80 ALDH1A1 (0.47) ALDH1A1TSHRTP53MDM2L3MBTL1
SCHEMBL135809 0.80 ALDH1A1 (0.47) ALDH1A1TSHRTP53MDM2L3MBTL1

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
EP-2033958-A1 Hydroxymethylfurfural ethers from sugars and di- and triols Furanix Technologies B.V (NL) 2009-03-11 EP claimed
US-9834530-B2 3-furyl-2-cyano-2-acrylamide derivative, preparation method therefor, pharmaceutical composition and use thereof JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2017-12-05 US disclosed
EP-2033958-A1 Hydroxymethylfurfural ethers from sugars and di- and triols Furanix Technologies B.V (NL) 2009-03-11 EP disclosed