SCHEMBL28628323

SCHEMBL28628323

CC(C)(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ESR1 P03372 1/20 0.43
CYP3A4 P08684 1/20 0.43
ESR2 Q92731 1/20 0.43
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTPN5 P54829 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS2 P35354 1/20 0.35
NR3C2 P08235 2/20 0.35
HSD11B1 P28845 1/20 0.35
BACE1 P56817 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
Phosphoric Acid SCHEMBL29088567 0.89 PTPN5 (0.46) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL26410692 0.85 ALDH1A1 (0.35) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL30897571 0.84 PDCD1 (0.46) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL25403858 0.83 PTPN5 (0.50) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL11129488 0.81 TSHR (0.42) ALDH1A1ESR1CYP3A4ESR2CNR2
SCHEMBL2199266 0.81 ALDH1A1 (0.54) ALDH1A1ESR1CYP3A4ESR2MAPK1
SCHEMBL21396117 0.80 ALDH1A1 (0.41) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL29475761 0.80 CNR1 (0.40) ALDH1A1CNR1CNR2HPGDPTPN5
SCHEMBL29833702 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL291792 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114599688-B Method for preparing vinyl chloride polymer composite material, vinyl chloride polymer composite material and composition comprising the same 株式会社LG化学 2024-02-06 CN disclosed
CN-114761485-B Process for producing vinyl chloride polymer composite 株式会社LG化学 2024-02-02 CN disclosed
CN-113423742-B Bis (arylphenoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-05-05 CN disclosed
CN-115315452-A Propylene polymers obtained using transition metal bis (phenolate) catalyst complexes and homogeneous processes for producing the same 埃克森美孚化学专利公司 2022-11-08 CN disclosed
CN-114761485-A Method for producing vinyl chloride polymer composite 株式会社LG化学 2022-07-15 CN disclosed
CN-114599688-A Method for producing vinyl chloride-based polymer composite, and vinyl chloride-based polymer composite composition comprising the same 株式会社LG化学 2022-06-07 CN disclosed
CN-113853381-A Iridium complex compound, composition containing iridium complex compound and solvent, organic electroluminescent element containing iridium complex compound, display device, and lighting device 三菱化学株式会社 2021-12-28 CN disclosed
CN-113423742-A Bis (arylphenolate) lewis base catalysts and processes thereof 埃克森美孚化学专利公司 2021-09-21 CN disclosed