SCHEMBL6908524

SCHEMBL6908524

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
EDNRB P24530 6/20 0.35
EDNRA P25101 6/20 0.35
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
ESR2 Q92731 1/20 0.32
DHODH Q02127 2/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 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
SCHEMBL6909398 0.86 PGR (0.35) PGREDNRBEDNRAHDAC2DHODH
SCHEMBL6902652 0.83 PGR (0.38) PGREDNRBEDNRAESR2MAPT
SCHEMBL6905733 0.78 PDCD1 (0.33) EDNRBEDNRA
Hydrochloric Acid SCHEMBL27517447 0.70 PGR (0.39) PGREDNRBEDNRAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27520193 0.69 PGR (0.38) PGREDNRBEDNRAMAPTSMN1; SMN2
SCHEMBL6905730 0.69
Hydrochloric Acid SCHEMBL6902647 0.67 PGR (0.36) PGREDNRBEDNRAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6909394 0.66 KMO (0.34) PGREDNRBEDNRAMAPTSMN1; SMN2
SCHEMBL6910000 0.65 PDCD1 (0.32) EDNRBEDNRALMNAHTTL3MBTL1
SCHEMBL30719676 0.63 EDNRB (0.46) EDNRBEDNRAHDAC2ESR2MAPT

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