SCHEMBL7595051

SCHEMBL7595051

CC(C)(C)OC(=O)CC=O.[KH]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CTSK P43235 3/20 0.33
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KMT2A Q03164 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2740502 0.98 HDAC6 (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21785870 0.82
Pyridine SCHEMBL29018238 0.81 RAB9A (0.35) TDP1KMT2A
SCHEMBL23172217 0.81
SCHEMBL8868668 0.78 HDAC6 (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27403835 0.78 HDAC6 (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4914214 0.77 ALDH1A1 (0.33) TDP1
SCHEMBL28036796 0.76 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10966939 0.76 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL98444 0.76 HDAC3 (0.36) HDAC6HDAC3HDAC1HDAC2HDAC8

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-115025439-B Composite environment-friendly aerosol fire extinguishing agent and preparation method thereof 深圳联众安消防科技有限公司 2023-05-02 CN claimed
CN-115025439-A Composite environment-friendly aerosol fire extinguishing agent and preparation method thereof 深圳联众安消防科技有限公司 2022-09-09 CN claimed
CN-115025439-B Composite environment-friendly aerosol fire extinguishing agent and preparation method thereof 深圳联众安消防科技有限公司 2023-05-02 CN disclosed
CN-115025439-A Composite environment-friendly aerosol fire extinguishing agent and preparation method thereof 深圳联众安消防科技有限公司 2022-09-09 CN disclosed
EP-0844269-B1 BLOCK COPOLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS KATAOKA KAZUNORI (JP) 2002-10-23 EP disclosed
US-5929177-A LIVING POLYMER WITH HYDROPHILIC, HYDROPHOBIC SEGMENTS Kataoka, Kazunori (JP) 1999-07-27 US disclosed
EP-0844269-A1 BLOCK POLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS Kataoka, Kazunori (JP) 1998-05-27 EP disclosed