SCHEMBL30422802

SCHEMBL30422802

CC(C)(c1ccccc1)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3O)n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
PTPN5 P54829 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CTSA P10619 1/20 0.32
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 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
SCHEMBL22320286 1.00 ESR1 (0.39) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL23774996 0.94 CNR1 (0.37) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL1133782 0.82 ESR1 (0.36) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL24359601 0.81 HSP90AA1 (0.50) ALDH1A1CYP3A4PTPN5HSP90AA1CYP1A2
SCHEMBL30619633 0.81 CNR1 (0.31) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL5706284 0.78 CNR1 (0.48) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL22320301 0.77 MAPK1 (0.40) ALDH1A1CYP3A4PTPN5HSP90AA1CYP1A2
SCHEMBL1276281 0.77 ESR1 (0.57) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL29377531 0.77 CNR1 (0.33) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL812172 0.77 CNR1 (0.33) ESR1ESR2ALDH1A1CYP3A4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348634-A1 Propylene Polymers Obtained Using Transition Metal Bis(Phenolate) Catalyst Complexes and Homogeneous Process for Production Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-11-02 US 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