SCHEMBL6910741

SCHEMBL6910741

C=[Ti](Cl)(Cl)(C1C(C)=Cc2cc(-c3ccccc3)ccc21)C1C(C)=Cc2cc(-c3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30
KDM1A O60341 2/20 0.30
MAOA P21397 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
KDM1B Q8NB78 1/20 0.30
PGR P06401 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
SCHEMBL6907018 0.83 HDAC1 (0.32) ESR2POLBMAPTCTDSP1
SCHEMBL6905956 0.81 MAPT (0.35) ESR2POLBMAPTCTDSP1
SCHEMBL6911165 0.80
SCHEMBL5872674 0.79
SCHEMBL27479178 0.73 MAOA (0.34) KDM1AMAOAMAPTKDM1B
SCHEMBL4092757 0.73 KDM1A (0.34) ESR2KDM1AMAOAKDM1B
SCHEMBL4059549 0.73 ESR2 (0.32) ESR2KDM1AMAOAKDM1B
SCHEMBL18114327 0.72 MAOA (0.33) KDM1AMAOAKDM1B
Hydrochloric Acid SCHEMBL4059545 0.72 MAOA (0.33) KDM1AMAOAMAPTKDM1B
Hydrochloric Acid SCHEMBL4094393 0.72 MAOA (0.33) KDM1AMAOAMAPTKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed