SCHEMBL29093259

SCHEMBL29093259

CCc1cc(P(c2ccccc2)c2ccccc2)c(CC)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.38
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ICAM1 P05362 2/20 0.31
SELE P16581 2/20 0.31
VCAM1 P19320 2/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29093398 0.85 ICAM1 (0.34) ALDH1A1MAPTICAM1SELEVCAM1
SCHEMBL29093192 0.78 PTPN1 (0.33) DRD1CYP3A4TDP1ALDH1A1MAPT
SCHEMBL29093281 0.74 MAPK1 (0.32) ALDH1A1SELEVCAM1MAPK1HSD17B10
SCHEMBL29093468 0.72 MAPK1 (0.31) ALDH1A1SELEVCAM1MAPK1HSD17B10
SCHEMBL30576264 0.72 CYP3A4 (0.44) CYP3A4TDP1ALDH1A1MAPTHPGD
SCHEMBL29093099 0.71 CYP3A4 (0.39) DRD1CYP3A4TDP1ALDH1A1MAPT
SCHEMBL29093470 0.69 MAPK1 (0.33) MAPK1HSD17B10
SCHEMBL29093299 0.69 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL30576305 0.69 CYP3A4 (0.37) DRD1CYP3A4TDP1L3MBTL1ESR1
SCHEMBL1727172 0.66 CYP3A4 (0.46) DRD1CYP3A4TDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948067-A Catalyst for propylene polymerization and propylene polymerization or copolymerization reaction method 中国石油天然气股份有限公司 2023-10-27 CN claimed
CN-116948065-A Solid catalyst component for olefin polymerization, preparation method thereof and catalyst containing solid catalyst component 中国石油天然气股份有限公司 2023-10-27 CN claimed
CN-116948067-A Catalyst for propylene polymerization and propylene polymerization or copolymerization reaction method 中国石油天然气股份有限公司 2023-10-27 CN disclosed
CN-116948065-A Solid catalyst component for olefin polymerization, preparation method thereof and catalyst containing solid catalyst component 中国石油天然气股份有限公司 2023-10-27 CN disclosed