SCHEMBL7943339

SCHEMBL7943339

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
CYP19A1 P11511 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MAOB P27338 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 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
SCHEMBL7106552 0.88
SCHEMBL7941171 0.83 CYP19A1 (0.32) MAPTKMT2AMEN1CYP19A1NPC1
SCHEMBL7945466 0.83 GAA (0.33) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL8160847 0.81 GAA (0.36) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL6904389 0.80 ALDH1A1 (0.33) ALDH1A1CYP19A1NPC1RAB9ALMNA
SCHEMBL8823139 0.71 MAPT (0.35) MAPTKMT2AALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL8823180 0.70 MAPT (0.33) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL16424180 0.69 ALDH1A1 (0.38) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL7934592 0.69
SCHEMBL16338953 0.69

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