SCHEMBL7945474

SCHEMBL7945474

CC1=CCC([Zr](=C(c2ccccc2)c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)=C1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 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
CYP19A1 P11511 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
SCHEMBL2805853 0.89 NPC1 (0.30) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6905177 0.87 RXRA (0.31)
SCHEMBL5177007 0.87 ALOX5 (0.31)
SCHEMBL6907142 0.86 CYP1A2 (0.31)
SCHEMBL6903959 0.86 CYP19A1 (0.31) CYP19A1
SCHEMBL2864138 0.86 NPC1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL5080267 0.85 CYP1A2 (0.30)
SCHEMBL7934592 0.83
SCHEMBL6904389 0.82 ALDH1A1 (0.33) ALDH1A1LMNANPC1PLA2G1BNFKB1
SCHEMBL2803241 0.82 ALDH1A1 (0.31) ALDH1A1LMNANPC1PLA2G1BNFKB1

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