SCHEMBL5080313

SCHEMBL5080313

CC(C)(C)c1ccc2c(c1)C([Zr])c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 SCHEMBL3298941 0.98 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6471561 0.83 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL14973884 0.81 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL9754019 0.80 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30438243 0.80 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30719677 0.80 DYRK1A (0.52) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1538379 0.80 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL15458052 0.78 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL9754016 0.78 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL7181544 0.78 ALDH1A1 (0.42) 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-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN claimed
CN-104245744-B POLYOLEFIN ADHESIVE COMPOSITIONS AND PREPARATION METHOD THEREOF 埃克森美孚化学专利公司 2016-10-12 CN claimed
CN-117120489-A Ethylene-alpha-olefin copolymer, thermoplastic resin composition, film, and laminate 三井化学株式会社 2023-11-24 CN disclosed
CN-117120490-A Ethylene-alpha-olefin copolymer, thermoplastic resin composition, and film 三井化学株式会社 2023-11-24 CN disclosed
CN-117083336-A Vinyl resin composition and molded article 三井化学株式会社 2023-11-17 CN disclosed
CN-107429017-B Multimodal polymer blend, hot melt adhesive comprising the same and use thereof 埃克森美孚化学专利公司 2019-11-05 CN disclosed
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN disclosed
CN-107429017-A Multimodal polymer blend, hot melt adhesive comprising the same and use thereof 埃克森美孚化学专利公司 2017-12-01 CN disclosed
CN-104245744-B POLYOLEFIN ADHESIVE COMPOSITIONS AND PREPARATION METHOD THEREOF 埃克森美孚化学专利公司 2016-10-12 CN disclosed
CN-102791750-B Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-29 CN disclosed
CN-102791750-A Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2012-11-21 CN disclosed
CN-102459367-A Ethylene-alpha-olefin copolymer, molded article, catalyst for copolymerization, and process for producing ethylene-alpha-olefin copolymer SUMITOMO CHEMICAL CO 2012-05-16 CN disclosed
EP-1964860-A1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER Tosoh Corporation (JP) 2008-09-03 EP disclosed
US-6372681-B1 METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2002-04-16 US disclosed