SCHEMBL7941700

SCHEMBL7941700

CCOc1ccc(C(c2ccccc2OOCc2ccccc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
BCHE P06276 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL10610555 0.79 CNR2 (0.40) CNR2L3MBTL1LMNALTA4HMEN1
SCHEMBL682834 0.77 LTA4H (0.60) CNR2L3MBTL1LMNALTA4HMEN1
SCHEMBL7941710 0.77 LTA4H (0.40) CNR2L3MBTL1LMNALTA4HMEN1
SCHEMBL7941706 0.71 LTA4H (0.45) CNR2L3MBTL1LMNALTA4HMEN1
SCHEMBL19543237 0.70 CNR2 (0.51) CNR2L3MBTL1LMNALTA4HMEN1
SCHEMBL11293541 0.70 LMNA (0.67) L3MBTL1LMNALTA4HALOX5BCHE
SCHEMBL11078857 0.69 MEN1 (0.50) L3MBTL1LMNAMEN1KMT2ABCHE
SCHEMBL824953 0.69 LMNA (0.64) L3MBTL1LMNAALOX5BCHE
SCHEMBL824979 0.68 NQO1 (0.70) CNR2L3MBTL1LTA4HMEN1KMT2A
SCHEMBL686456 0.67 LTA4H (0.59) CNR2L3MBTL1LMNALTA4HMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218416-B1 1-METHYL-2-NITRO-3-((3-TETRAHYDROFURYL)METHYL)GUANIDINE AND (2,5-DIOXO-3-(2-PROPYNYL)-1-IMIDAZOLIDINYL)METHYL CHRYSANTHEMATE AS ACTIVE SYNERGISTIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-17 US disclosed