SCHEMBL28295482

SCHEMBL28295482

CCOC(=O)c1occc1C(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 4/20 0.53
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 3/20 0.40
ADORA2B P29275 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL17223287 0.89 TSHR (0.55) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28295333 0.87 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28296973 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28654888 0.82 ALDH1A1 (0.53) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28664099 0.81 HSD17B10 (0.51) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL15819569 0.80 TSHR (0.47) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL20337837 0.80 TSHR (0.52) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28296969 0.79 TSHR (0.55) ALDH1A1TSHRMEN1TP53KMT2A
SCHEMBL165370 0.78 ALDH1A1 (0.59) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL1142993 0.78 ALDH1A1 (0.86) ALDH1A1TSHRMAPTMEN1TP53

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
CN-109679300-A Thermoplastic polyester complex and preparation method thereof, product 中国科学院宁波材料技术与工程研究所 2019-04-26 CN claimed
CN-109679300-B Thermoplastic polyester compound and preparation method and product thereof 中国科学院宁波材料技术与工程研究所 2021-11-30 CN disclosed
CN-109679300-A Thermoplastic polyester complex and preparation method thereof, product 中国科学院宁波材料技术与工程研究所 2019-04-26 CN disclosed