SCHEMBL28095243

SCHEMBL28095243

CCOC(=O)C(C(C)=O)C(=O)c1ccccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL2761612 0.90 PTGS2 (0.54) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL11497411 0.84 PTGS2 (0.47) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL29058680 0.83 SMN1; SMN2 (0.42) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL10938291 0.81 MAPK1 (0.39) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL11163042 0.79 TSHR (0.46) HSD17B10HPGDTSHRALDH1A1LMNA
SCHEMBL2761611 0.79 PTGS2 (0.57) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL9463272 0.79 KDM4E (0.66) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL30186934 0.79 TSHR (0.67) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL1872604 0.79 TSHR (0.67) PTGS2KDM4EHSD17B10HPGDTSHR
SCHEMBL11788534 0.78 CDC25B (0.57) KDM4EHPGDTSHRALDH1A1MEN1

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
CN-106831401-A A kind of 3 hydracrylic acid bio-fermented liquid separating-purifying devices and its method of work based on bus marco 徐州工程学院 2017-06-13 CN claimed
CN-105993830-A Landscaping tree fixing and righting device and use method thereof 徐州工程学院 2016-10-12 CN claimed
CN-106831401-A A kind of 3 hydracrylic acid bio-fermented liquid separating-purifying devices and its method of work based on bus marco 徐州工程学院 2017-06-13 CN disclosed
CN-105993830-A Landscaping tree fixing and righting device and use method thereof 徐州工程学院 2016-10-12 CN disclosed