SCHEMBL6907018

SCHEMBL6907018

CC1=Cc2cc(-c3ccccc3)ccc2C1[Ti](Cl)(Cl)(=C(C)C)C1C(C)=Cc2cc(-c3ccccc3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ALOX5 P09917 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
DHODH Q02127 1/20 0.30
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 1/20 0.30
GFER P55789 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
PTPN1 P18031 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
SCHEMBL6905956 0.86 MAPT (0.35) HDAC2ESR2MAPTPOLBCTDSP1
SCHEMBL6910741 0.83 ESR2 (0.30) ESR2MAPTPOLBCTDSP1
SCHEMBL6910484 0.81
SCHEMBL820363 0.81 ALDH1A1 (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL395571 0.77 KDM1A (0.33) MAPTPOLBCTDSP1
SCHEMBL820472 0.75 PDCD1 (0.33)
SCHEMBL4094394 0.74 MGLL (0.33) ESR2ALOX5
SCHEMBL6904465 0.72 SMN1; SMN2 (0.35) MAPTPOLBCTDSP1SMN1; SMN2
SCHEMBL27479178 0.71 MAOA (0.34) MAPTALOX5DHODH
SCHEMBL4092757 0.71 KDM1A (0.34) ESR2ALOX5

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