SCHEMBL6902652

SCHEMBL6902652

C=[Ti](Cl)(Cl)(C1C=C(C)c2cc(-c3ccccc3)ccc21)C1C=C(C)c2cc(-c3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.38
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.83 PGR (0.37) PGREDNRBEDNRANPSR1MEN1
SCHEMBL6909398 0.81 PGR (0.35) PGREDNRBEDNRAMAPT
SCHEMBL6908396 0.79 GPR3 (0.31)
Hydrochloric Acid SCHEMBL27517447 0.72 PGR (0.39) PGREDNRBEDNRANPSR1MEN1
Hydrochloric Acid SCHEMBL6902647 0.72 PGR (0.36) PGREDNRBEDNRANPSR1MEN1
Hydrochloric Acid SCHEMBL27520193 0.71 PGR (0.38) PGREDNRBEDNRANPSR1MEN1
SCHEMBL6910741 0.68 ESR2 (0.30) PGRMAPTESR2KDM1AMAOA
Hydrochloric Acid SCHEMBL6908519 0.67 EDNRB (0.35) PGREDNRBEDNRANPSR1MEN1
Hydrochloric Acid SCHEMBL6909394 0.65 KMO (0.34) PGREDNRBEDNRANPSR1MEN1
SCHEMBL30719676 0.61 EDNRB (0.46) EDNRBEDNRANPSR1MEN1APAF1

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