SCHEMBL7945488

SCHEMBL7945488

COc1cccc2c1-c1ccccc1C2[Zr](C)(C)(C1=CC(C)=C(C)C1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.38
CYP19A1 P11511 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLL Q9UGP5 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
FPR1 P21462 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
HIF1A Q16665 3/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7942044 0.85
SCHEMBL7934602 0.84 NSD2 (0.33) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL8823164 0.83 NR3C1 (0.38) NR3C1CYP19A1MEN1KMT2APOLL
SCHEMBL8823139 0.81 MAPT (0.35) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL8156144 0.81 NR3C1 (0.40) NR3C1CYP19A1MEN1KMT2APOLL
SCHEMBL7945493 0.75
SCHEMBL8823147 0.74 CYP19A1 (0.32) CYP19A1MEN1KMT2AHTTALDH1A1
SCHEMBL7103498 0.72
SCHEMBL7941201 0.70 MAPT (0.31) MAPT
Hydrochloric Acid SCHEMBL7934579 0.70 NR3C1 (0.38) NR3C1CYP19A1MEN1KMT2APOLL

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-6316558-B1 POLYMERIZING OLEFIN USING CATALYST COMPRISING TRANSITION METAL COMPOUND, COMPOUND CAPABLE OF A REACTING WITH TRANSITION METAL COMPOUND TO FORM A CATIONIC TRANSITION METAL COMPOUND, ORGANOMETALLIC TO FORM POLYOLEFIN TOSOH CORPORATION (JP) 2001-11-13 US disclosed
EP-0786466-A1 Transition metal compound, olefin polymerization catalyst comprising the compound, and process for production of olefin polymer Tosoh Corporation (JP) 1997-07-30 EP disclosed