SCHEMBL7943336

SCHEMBL7943336

COc1ccc2c(c1[Zr](C1=CC(C)=C(C)C1)=C(c1ccccc1)c1ccccc1)Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 1/20 0.31
MIF P14174 1/20 0.31
PTGS2 P35354 2/20 0.31
BRD4 O60885 1/20 0.30
GAA P10253 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP3 P42574 1/20 0.30
CASP6 P55212 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL7945465 0.84 KDM4E (0.38) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL8160844 0.83 KDM4E (0.40) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL7106551 0.80 NPC1 (0.38) RAB9ANPC1
SCHEMBL7942063 0.74
Hydrochloric Acid SCHEMBL442027 0.72
SCHEMBL7941151 0.71 KDM4E (0.50) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL7201371 0.70 KDM4E (0.49) KDM4EALDH1A1MAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL8823178 0.70 KDM4E (0.41) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL8823143 0.70 KDM4E (0.41) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL7943311 0.67 KDM4E (0.35) KDM4EALDH1A1MAPTRAB9AMEN1

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 1 patent. 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