SCHEMBL27460293

SCHEMBL27460293

CC(=O)C1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.59
HSP90AB1 P08238 1/20 0.59
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
XBP1 P17861 1/20 0.53
MAPK1 P28482 1/20 0.53
MPI P34949 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CDC25B P30305 7/20 0.50
CDC25A P30304 5/20 0.50
APEX1 P27695 1/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL30583758 1.00 HSP90AA1 (0.59) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL25705603 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL2901813 0.83 FGFR1 (0.58) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL13442857 0.80 APEX1 (0.47) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL9178962 0.79 APAF1 (0.60) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL4103689 0.79 ALDH1A1 (0.50) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL7098579 0.79 ALDH1A1 (0.62) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL15367855 0.78 MAOA (0.58) HSP90AA1HSP90AB1LMNAMAPTHTT
SCHEMBL29941466 0.77 CDC25B (0.68) LMNAMAPTHTTMEN1KMT2A
SCHEMBL571026 0.77 CDC25B (0.68) LMNAMAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246993-A Composite coating with adjustable active ingredient release performance and preparation method thereof 中国科学院宁波材料技术与工程研究所 2022-03-29 CN disclosed
CN-109628665-B Vitamin K3Chrome tanning liquid using waste liquid as raw material and preparation method thereof 云南省陆良和平科技有限公司 2022-01-18 CN disclosed
CN-109641121-B Sheath for cannula 泰尔茂株式会社 2021-09-21 CN disclosed
CN-106913900-B Silk fibroin hemostatic material and preparation method thereof 苏州丝美特生物技术有限公司 2020-07-10 CN disclosed
CN-1126441-A Amplification of vitamin B12 absorption System Using polymers BIOTECH AUSTRALIA PTY LTD (AU) 1996-07-10 CN disclosed