SCHEMBL6909398

SCHEMBL6909398

CC1=CC([Ti](Cl)(Cl)(=C(c2ccccc2)c2ccccc2)C2C=C(C)c3cc(-c4ccccc4)ccc32)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
KMO O15229 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EPHX1 P07099 1/20 0.32
HDAC2 Q92769 1/20 0.32
DHODH Q02127 1/20 0.32
BCL2 P10415 1/20 0.31
PTGER1 P34995 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL6908524 0.86 PGR (0.37) PGREDNRBEDNRAMAPTHDAC2
SCHEMBL6902652 0.81 PGR (0.38) PGREDNRBEDNRAMAPT
SCHEMBL6910000 0.79 PDCD1 (0.32) EDNRBEDNRA
Hydrochloric Acid SCHEMBL6909394 0.69 KMO (0.34) PGREDNRBEDNRAKMOMRGPRX4
Hydrochloric Acid SCHEMBL27517447 0.68 PGR (0.39) PGREDNRBEDNRAMAPT
Hydrochloric Acid SCHEMBL27520193 0.67 PGR (0.38) PGREDNRBEDNRAMAPT
SCHEMBL6907107 0.66 POLB (0.33) POLB
Hydrochloric Acid SCHEMBL6908519 0.66 EDNRB (0.35) PGREDNRBEDNRAMAPT
Hydrochloric Acid SCHEMBL6902647 0.65 PGR (0.36) PGREDNRBEDNRAMAPT
SCHEMBL6905733 0.65 PDCD1 (0.33) EDNRBEDNRA

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