SCHEMBL28025943

SCHEMBL28025943

CC(C)(C)c1cccc(C2=C[CH]c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
PTAFR P25105 1/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PTPN5 P54829 4/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL18763978 0.87 RXRB (0.38) KIF11PTAFRRXRARXRBNPC1
SCHEMBL28521494 0.84 PTAFR (0.43) PTAFRALDH1A1L3MBTL1PTPN5
SCHEMBL18763973 0.81 PTAFR (0.40) KIF11PTAFRNPC1ALDH1A1PLA2G1B
SCHEMBL28303650 0.80 PTAFR (0.39) KIF11PTAFRNPC1ALDH1A1PLA2G1B
SCHEMBL28512208 0.78 RAB9A (0.39) NPC1ALDH1A1NFKB1RAB9ANFKB2
SCHEMBL28025419 0.75 TAAR1 (0.39) NFKB1NFKB2RELA
SCHEMBL28025937 0.75 PTAFR (0.40) PTAFRNPC1NFKB1RAB9ANFKB2
SCHEMBL5076754 0.74 ALDH1A1 (0.41) ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL28025547 0.74 DYRK1A (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL28025990 0.74 BCL2 (0.40) KIF11NPC1ALDH1A1RAB9AL3MBTL1

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 5 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-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 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-108137729-A It is used to form the catalyst of multimodal polymer 埃克森美孚化学专利公司 2018-06-08 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed