SCHEMBL7102183

SCHEMBL7102183

C[Zr](C)c1c(C(C)(C)C)ccc2c1Cc1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL540420 0.87 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6003856 0.82 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL18261224 0.80 ALDH1A1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30028170 0.80 ALDH1A1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL7719173 0.79 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL7181552 0.79 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1538380 0.79 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27862673 0.79 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL5086023 0.78 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL540421 0.78 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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
EP-0786466-B1 Olefin polymerisation process which comprises a transition metal catalyst. TOSOH CORP (JP) 2003-04-16 EP disclosed
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