SCHEMBL6434874

SCHEMBL6434874

CC1=Cc2ccccc2C1[Zr](C)(=[SiH2])(c1ccccc1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
Hydrochloric Acid SCHEMBL7190612 0.99 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6434287 0.87 ALDH1A1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7196688 0.86 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6434823 0.86 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7195479 0.85 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6435234 0.84
SCHEMBL7760868 0.84 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7192520 0.83
Hydrochloric Acid SCHEMBL7196704 0.83
SCHEMBL7050766 0.83

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-1092730-B1 PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2005-03-23 EP disclosed