SCHEMBL8204623

SCHEMBL8204623

CC1=C(C)C([Zr]2(C3C(C)=C(C)c4ccccc43)CC2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
GPR3 P46089 1/20 0.32
POLB P06746 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6908083 0.98 PBRM1 (0.33) PBRM1TNKS2GPR3POLB
SCHEMBL812546 0.79 HTR2A (0.39) GPR3POLBKMT2A
Hydrochloric Acid SCHEMBL10180148 0.77 HTR2A (0.38) GPR3POLBKMT2A
Hydrochloric Acid SCHEMBL6063882 0.72 CDC25A (0.31) CDC25ACDC25B
SCHEMBL27709737 0.71 GPR3 (0.37) PBRM1TNKS2GPR3POLBCDC25A
SCHEMBL8857182 0.70 DRD2 (0.33) PBRM1TNKS2GPR3POLBMEN1
SCHEMBL1941203 0.69 GPR3 (0.38) PBRM1TNKS2GPR3POLBCDC25A
SCHEMBL6437792 0.68 GPR3 (0.32) GPR3POLBMEN1LMNAKMT2A
SCHEMBL14277097 0.67 MEN1 (0.40) GPR3POLBMEN1LMNAKMT2A
SCHEMBL28330081 0.67 GPR3 (0.37) PBRM1TNKS2GPR3POLBCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US claimed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed