SCHEMBL4577357

SCHEMBL4577357

CC1=CC(C)C([Zr](=C(c2ccccc2)c2ccccc2)C2c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)=C1C

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
ACHE P22303 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
TNF P01375 1/20 0.30
KLF5 Q13887 1/20 0.30
NOD1 Q9Y239 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
SCHEMBL5080292 0.91 LMNA (0.31) LMNANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL4577780 0.87 LMNA (0.31) LMNA
SCHEMBL16339092 0.83
SCHEMBL5067065 0.80 LMNA (0.31) LMNAKCNK9ACHENPC1ALDH1A1
SCHEMBL2806627 0.78 KCNK9 (0.31) KCNK9ACHENPC1ALDH1A1PLA2G1B
Hydrochloric Acid SCHEMBL2586210 0.77 KCNK9 (0.30) KCNK9
SCHEMBL3157963 0.76 RXRA (0.33) KCNK9
SCHEMBL6897221 0.76 NPC1 (0.30) LMNANPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL6905960 0.74 LMNA (0.32) LMNANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL6904061 0.73 NPC1 (0.33) LMNANPC1ALDH1A1PLA2G1BNFKB1

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
EP-1900744-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed