SCHEMBL2517328

SCHEMBL2517328

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccccc2)C3[Zr](Cl)(Cl)(C2C(c3ccccc3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)[SiH](C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
RARB P10826 8/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL2514850 0.96 HSD11B1 (0.37) HSD11B1RARB
SCHEMBL2513849 0.92 KCNH2 (0.31)
SCHEMBL2511754 0.88 EDNRB (0.35)
SCHEMBL2518430 0.88 RARB (0.36) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL5359970 0.87 HSD11B1 (0.37) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL2511689 0.87 RARB (0.36) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL2513798 0.87 RARB (0.36) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL2518453 0.87 RARB (0.36) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL5351443 0.87 RARB (0.36) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL5353393 0.85 HSD11B1 (0.35) HSD11B1RARBMEN1ALDH1A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034886-B2 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2011-10-11 US disclosed
US-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 US disclosed
US-7598329-B2 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2009-10-06 US disclosed
US-20070105712-A1 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2007-05-10 US disclosed