SCHEMBL7943316

SCHEMBL7943316

COc1ccc2c(c1)C([Zr](C)(C)(C1=CC(C)=CC1)=C(c1ccccc1)c1ccccc1)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
CYP19A1 P11511 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
NQO2 P16083 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
HTR2A P28223 1/20 0.30
MAOB P27338 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 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
SCHEMBL7106980 0.88
SCHEMBL7106085 0.83 NPC1 (0.30) NPC1RAB9A
SCHEMBL8823139 0.83 MAPT (0.35) MAPTGAACYP19A1NPC1RAB9A
SCHEMBL7941164 0.83
SCHEMBL8154216 0.83 GAA (0.36) MAPTGAACYP19A1NPC1RAB9A
SCHEMBL8823164 0.81 NR3C1 (0.38) MAPTGAACYP19A1NPC1SMN1; SMN2
SCHEMBL7107714 0.80 LMNA (0.31) CYP19A1NPC1RAB9AALDH1A1LMNA
SCHEMBL7942039 0.76 NSD2 (0.31) MAPTALDH1A1LMNAMAPK1
SCHEMBL7943318 0.75
SCHEMBL7107791 0.74

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