SCHEMBL28465875

SCHEMBL28465875

O=C(OCCCCCCO)c1ccc(C(=O)OCCCCCCO)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 4/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
APP P05067 2/20 0.40
TDP2 O95551 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28473004 1.00 ALDH1A1 (0.46) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29009420 1.00 ALDH1A1 (0.46) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL27429772 0.98 ALDH1A1 (0.47) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29033231 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29009414 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29033324 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29033325 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29033229 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL29033323 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL28246021 0.93 TDP1 (0.48) ALDH1A1HPGDTSHRLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218168-A Heat-resistant high-strength polylactic acid composite material and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-06-06 CN claimed
CN-108410000-B 2, 5-furandicarboxylic acid based polyester foam material and preparation method thereof 中国科学院宁波材料技术与工程研究所 2020-09-18 CN claimed
CN-108484892-B Method for preparing poly (1,6-hexanediol 2, 5-furandicarboxylate) by using biomass 浙江理工大学 2020-07-14 CN claimed
CN-116218168-A Heat-resistant high-strength polylactic acid composite material and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-06-06 CN disclosed
CN-108410000-B 2, 5-furandicarboxylic acid based polyester foam material and preparation method thereof 中国科学院宁波材料技术与工程研究所 2020-09-18 CN disclosed
CN-108484892-B Method for preparing poly (1,6-hexanediol 2, 5-furandicarboxylate) by using biomass 浙江理工大学 2020-07-14 CN disclosed
CN-108484892-B Method for preparing poly (1,6-hexanediol 2, 5-furandicarboxylate) by using biomass 浙江理工大学 2020-07-14 CN disclosed