SCHEMBL5082708

SCHEMBL5082708

CCc1ccc2c(c1)C([Zr](C1=CC=CC1)=C(c1ccccc1)c1ccccc1)c1cc(CC)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2C Q14957 1/20 0.30
TP53 P04637 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
SCHEMBL17698557 0.84 LMNA (0.32) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL8160551 0.83 MAPT (0.33) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL813468 0.82 MEN1 (0.30) LMNA
Hydrochloric Acid SCHEMBL17743557 0.82 MEN1 (0.32) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL17743524 0.81 RAB9A (0.35) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL2803241 0.81 ALDH1A1 (0.31) NPC1ALDH1A1LMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL9064568 0.81
Hydrochloric Acid SCHEMBL7617603 0.81
SCHEMBL8153894 0.81 MEN1 (0.31) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL17743530 0.81 PTPN1 (0.33) SMN1; SMN2

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
EP-1964860-A1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER Tosoh Corporation (JP) 2008-09-03 EP disclosed