SCHEMBL6898928

SCHEMBL6898928

CC(C)(C)c1ccc2c(c1)C([Zr](=C(c1ccccc1)c1ccccc1)C1C=C(c3ccccc3)c3ccccc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TNF P01375 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
SCHEMBL6903134 0.86 L3MBTL1 (0.34) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
Hydrochloric Acid SCHEMBL19056278 0.85 L3MBTL1 (0.33) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL6902439 0.85 CNR2 (0.32) NPC1RAB9ACNR2
SCHEMBL6903385 0.82 NPC1 (0.33) L3MBTL1NPC1ALDH1A1RAB9AMAPT
SCHEMBL6898611 0.81 NPC1 (0.30) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL20814822 0.81 NPC1 (0.33) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
Hydrochloric Acid SCHEMBL17976569 0.80
Hydrochloric Acid SCHEMBL15815693 0.80 NPC1 (0.33) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL6899736 0.80 LMNA (0.31) L3MBTL1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL5078525 0.79 CNR1 (0.34) NPC1RAB9ACNR1CNR2

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-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed