SCHEMBL28513312

SCHEMBL28513312

CCCCCCC1(CCCCCC)c2ccccc2-c2cccc(CBr)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
CYP2D6 P10635 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PDK2 Q15119 4/20 0.34
LIPG Q9Y5X9 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP3 P08254 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL5504039 0.88 CYP2D6 (0.38) CYP2D6PDK2APEX1
SCHEMBL27584730 0.87 MMP2 (0.34) MMP2MMP9MMP8MMP13PDK2
SCHEMBL4454321 0.85 MMP2 (0.42) MMP2MMP9MMP8MMP13PDK2
SCHEMBL28376924 0.84 NR1H2 (0.36) MMP2MMP9MMP8MMP13CYP2D6
SCHEMBL27923635 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL27517960 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL3202110 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL28205809 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL27630363 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL31531016 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112272662-B Optical data communication system comprising p-phenylenevinylene and specific p-phenylenevinylene 巴斯夫欧洲公司 2024-07-16 CN disclosed
CN-112272662-A Optical data communication system comprising p-phenylethene and specific p-phenylethene 巴斯夫欧洲公司 2021-01-26 CN disclosed