SCHEMBL24221

SCHEMBL24221

C=Cc1ccccc1CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL28456377 0.84 ALDH1A1 (0.36) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL30679 0.82 GABRA1 (0.47) ALDH1A1MEN1LMNAKMT2ATDP1
SCHEMBL3012835 0.82 LMNA (0.55) ALDH1A1MEN1LMNATHRBBLM
Charcoal, Activated SCHEMBL9723291 0.80 GABRA1 (0.45) ALDH1A1MEN1LMNAKMT2ATDP1
Methane SCHEMBL28621463 0.80 GABRA1 (0.45) ALDH1A1MEN1LMNAKMT2ATDP1
SCHEMBL9292423 0.78 ALDH1A1 (0.41) ALDH1A1PTGER4PTGER3PTGER2TSHR
SCHEMBL7461135 0.78 TDP1 (0.38) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL8055035 0.78 GABRA1 (0.40) ALDH1A1MEN1LMNAKMT2ATDP1
SCHEMBL14959 0.77 ALDH1A1 (0.44) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL29749448 0.77 ALDH1A1 (0.44) ALDH1A1MEN1LMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 CN disclosed
EP-2609094-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
WO-2012025557-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
EP-0549808-A1 TRANSPARENT PLASTIC MATERIAL SEIKO EPSON CORPORATION (JP) 1993-07-07 EP disclosed