SCHEMBL4468064

SCHEMBL4468064

CC(C)(C)c1ccc2c(c1)[CH]c1cccc(C(C)(C)C)c1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CA2 P00918 1/20 0.34
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
HDAC4 P56524 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
SCHEMBL28614786 0.87 ALDH1A1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2045383 0.80 CA2 (0.40) ALDH1A1CA2TDP1TSHRKIF11
SCHEMBL714735 0.78 ALDH1A1 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2050307 0.78 CA2 (0.48) ALDH1A1CA2TDP1TSHRKIF11
SCHEMBL2046204 0.77 ALDH1A1 (0.53) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL28623994 0.77 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL27727744 0.76 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL27862672 0.76 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL21244337 0.76 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL21631842 0.76 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111729688-B Application of single cyclopentadienyl fourth subgroup metal complex containing neutral coordination side group 吉林大学 2021-08-17 CN claimed
CN-111620914-B Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2021-03-19 CN claimed
CN-111729688-A Application of single cyclopentadienyl fourth subgroup metal complex containing neutral coordination side group 吉林大学 2020-10-02 CN claimed
CN-111620914-A Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2020-09-04 CN claimed
CN-113302213-A Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2021-08-24 CN disclosed
CN-111729688-B Application of single cyclopentadienyl fourth subgroup metal complex containing neutral coordination side group 吉林大学 2021-08-17 CN disclosed
CN-111662338-B Monocyclopentadienyl fourth subgroup metal complex containing neutral amine or phosphine ligand side group and its use 吉林大学 2021-06-22 CN disclosed
CN-111620914-B Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2021-03-19 CN disclosed
CN-111729688-A Application of single cyclopentadienyl fourth subgroup metal complex containing neutral coordination side group 吉林大学 2020-10-02 CN disclosed
CN-111662338-A Monocyclopentadienyl fourth subgroup metal complex containing neutral amine or phosphine ligand side group and its use 吉林大学 2020-09-15 CN disclosed
CN-111620914-A Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2020-09-04 CN disclosed
US-7485687-B2 Melt flow rate of 0.01 to 100 g/10 min, an activation energy of flow of 50 kJ/mol or more, molecular weight distribution measured by a gel permeation chromatography of 3 or more and minute defects of 2000/m2 or less; molding materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-03 US disclosed
US-20070100105-A1 Melt flow rate of 0.01 to 100 g/10 min, an activation energy of flow of 50 kJ/mol or more, molecular weight distribution measured by a gel permeation chromatography of 3 or more and minute defects of 2000/m2 or less; molding materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 US disclosed
US-20020137863-A1 Cycloolefin copolymers and a process for their preparation HOECHST AKTIENGCSELLSCHAFT. 2002-09-26 US disclosed