SCHEMBL9727486

SCHEMBL9727486

O=C(O)CCCC1=CC(=O)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
F13A1 P00488 3/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL28306232 0.98 HDAC3 (0.44) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL28142282 0.89 KEAP1 (0.42) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL234448 0.75 ACHE (0.40) CDC25ACDC25BCDC25C
SCHEMBL6544586 0.73 ACHE (0.47) CDC25ACDC25BCDC25C
SCHEMBL2185936 0.72 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL4372749 0.72 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL6544689 0.72 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL6543575 0.72 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL8922171 0.72 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL6413040 0.72 ACHE (0.50) CDC25ACDC25BCDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109999183-B Nano-clustering enzyme containing hypoxia activated prodrug and preparation method and application thereof 中国科学技术大学 2021-03-09 CN disclosed
CN-109999183-B Nano-clustering enzyme containing hypoxia activated prodrug and preparation method and application thereof 中国科学技术大学 2021-03-09 CN disclosed
CN-109999183-A A kind of nano-cluster enzyme and its preparation method and application containing weary oxygen activation prodrug 中国科学技术大学 2019-07-12 CN disclosed
CN-109999183-A A kind of nano-cluster enzyme and its preparation method and application containing weary oxygen activation prodrug 中国科学技术大学 2019-07-12 CN disclosed
CN-106633015-B The polyethylene glycol of bridging-aliphatic poly ester block copolymer, preparation method, intermediate and purposes 中国科学技术大学 2019-03-29 CN disclosed
CN-106633015-A Bridged polyethylene glycol-aliphatic polyester segmented copolymer, preparation method thereof, intermediate and purpose thereof 中国科学技术大学 2017-05-10 CN disclosed
US-5140013-A Shelf life; polymerization inhibition; nontoxic; side effects reduction UNIVERSITE LAVAL (CA) 1992-08-18 US disclosed
WO-1991008775-A2 MALEIC ANHYDRIDE DERIVATIVES USED AS CONJUGATION AGENTS OF ANTI-TUMOR AGENTS ON DESIRED CARRIERS UNIVERSITE LAVAL (CA) 1991-06-27 WO disclosed