SCHEMBL4622250

SCHEMBL4622250

CCCC[Zr](CCCC)(C1c2cc(C)ccc2-c2ccc(C)cc21)C1c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MCL1 Q07820 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
CNR2 P34972 4/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL796973 0.89 CRHR1 (0.36) EDNRBEDNRAMCL1ACMSDCNR2
SCHEMBL797390 0.73 PGR (0.31)
SCHEMBL797705 0.71 ACHE (0.49)
SCHEMBL7601274 0.71 CA12 (0.37) EDNRBEDNRAMCL1ACMSDCA12
SCHEMBL797656 0.70 CRHR1 (0.36) EDNRBEDNRAMCL1ACMSDCNR2
SCHEMBL21120704 0.67 ENPP3 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL4323024 0.66 ENPP1 (0.48) MCL1ACMSDCNR2CA12CA1
Hydrochloric Acid SCHEMBL8915890 0.66 EDNRB (0.38) EDNRBEDNRAMCL1ACMSDCA12
SCHEMBL2495608 0.66 ENPP1 (0.57) MCL1ACMSDCA12CA1CA2
Hydrochloric Acid SCHEMBL8606095 0.66 CA12 (0.39) EDNRBEDNRAMCL1ACMSDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed