SCHEMBL3965241

SCHEMBL3965241

C=CCC1(CC=C)Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PRCP P42785 2/20 0.37
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14659945 0.79 ADRA1D (0.38) ADRA1DADRA1AADRA1BPRCPSIGMAR1
Hydrochloric Acid SCHEMBL9517327 0.78 ADRA2A (0.36) ADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL8061057 0.77 HTR2A (0.39) ADRA1DADRA1AADRA1BPRCPSIGMAR1
Hydrochloric Acid SCHEMBL9516343 0.75 LMNA (0.36) ADRA1DADRA1ALMNASIGMAR1MEN1
Hydrochloric Acid SCHEMBL9518195 0.75 SIGMAR1 (0.35) ADRA1DADRA1APRCPLMNASIGMAR1
SCHEMBL13378149 0.71 MME (0.44) LMNAMEN1ALDH1A1POLBKMT2A
SCHEMBL3231447 0.71 SIGMAR1 (0.34) ADRA1DADRA1AADRA1BPRCPSIGMAR1
SCHEMBL14660180 0.70 SIGMAR1 (0.36) ADRA1DADRA1AADRA1BSIGMAR1MEN1
SCHEMBL25699874 0.70 MEN1 (0.42) GAAMEN1ALDH1A1POLBKMT2A
SCHEMBL3223968 0.70 SIGMAR1 (0.33) ADRA1DADRA1AADRA1BPRCPSIGMAR1

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed