SCHEMBL7875314

SCHEMBL7875314

Cc1ccc(O[Zr](Oc2ccc(C)cc2)(C2=CC=CC2)C2=CC=CC2)cc1.Cc1ccccc1O[Zr](Oc1ccccc1C)(C1=CC=CC1)C1=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5084993 0.90 TSHR (0.34) SLC6A4TDP1
SCHEMBL5081603 0.87 ACHE (0.35) MAPTTDP1
SCHEMBL5083447 0.81 TSHR (0.33) MAPTTDP1L3MBTL1
SCHEMBL5498575 0.79 SYK (0.42) HTR2ASLC6A4MAPTTDP1L3MBTL1
SCHEMBL5491964 0.78 LTA4H (0.34)
SCHEMBL5499647 0.78 ADRA2A (0.35)
SCHEMBL5084386 0.78 SMN1; SMN2 (0.34) MAPTATML3MBTL1
SCHEMBL5087679 0.78 HTR1B (0.38) MAPT
Hydrochloric Acid SCHEMBL28983327 0.77 LTA4H (0.33)
SCHEMBL5087243 0.76 TDP1 (0.33) HTR2ASLC6A4MAPTTDP1L3MBTL1

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-6323149-B1 ALCOHOL OR MERCAPTAN SUBSTITUTED TRANSITION METAL METALLOCENE; ORGANIC ALUMINUM OXY COMPOUND OR CATION GENERATOR; GENERATES NO HYDROGEN HALIDE BY HYDROLYSIS AND EASILY HANDLED, AND HAS A HIGH STORAGE STABILITY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2001-11-27 US disclosed