SCHEMBL8710096

SCHEMBL8710096

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C(O)CO)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP1 P29466 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX5 P09917 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
SCHEMBL6255084 0.90
SCHEMBL6687090 0.85 PDCD1 (0.35) KMT2AMEN1ALDH1A1
SCHEMBL8167343 0.81 CA12 (0.34) MAPTNPSR1CHRNB4CHRNA3KDM4E
SCHEMBL8679843 0.79 CYP11B2 (0.35) MAPTNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL4060837 0.78 CA12 (0.33) MAPTNPSR1KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7926938 0.78 ALDH1A1 (0.33) MAPTNPSR1CHRNB4CHRNA3KDM4E
SCHEMBL6251941 0.77
SCHEMBL8678773 0.76 ALDH1A1 (0.32) MAPTNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL3676185 0.76 ALDH1A1 (0.33) MAPTNPSR1KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7211657 0.75 CA12 (0.34) MAPTNPSR1CHRNB4CHRNA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873344-A1 PREPARATION OF BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1998-10-28 EP disclosed
WO-1997025336-A1 PREPARATION OF BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-07-17 WO disclosed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO disclosed