SCHEMBL30745652

SCHEMBL30745652

CC(C)CC1=C(CC(C)C)CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
GABRR1 P24046 4/20 0.35
GABRR2 P28476 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC1A2 P43004 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL30901543 0.79 ALDH1A1 (0.39) POLBGRM2GRM3ALDH1A1GAA
SCHEMBL30901591 0.76 MAPT (0.39) POLBALDH1A1HTR2AMAPT
SCHEMBL30745650 0.75 GAA (0.37) POLBGRM2GRM3GABRR1GABRR2
SCHEMBL30901551 0.74 CHRM1 (0.32) ALDH1A1HTR2A
SCHEMBL30901522 0.74 ALDH1A1 (0.36) POLBGRM2GRM3ALDH1A1MEN1
SCHEMBL29980778 0.74 MEN1 (0.55) POLBGRM2GRM3ALDH1A1GAA
SCHEMBL30745653 0.71 KMT2A (0.38) POLBGRM2GRM3GABRR1GABRR2
SCHEMBL30901548 0.70 MEN1 (0.40) POLBGRM2GRM3GABRR1ALDH1A1
SCHEMBL29510312 0.69 MEN1 (0.43) POLBGRM2GRM3ALDH1A1LMNA
SCHEMBL30745654 0.68 SCD (0.44) POLBALDH1A1GAAMEN1KMT2A

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed
CN-117425682-A Solid catalyst component for olefin polymerization, catalyst for olefin polymerization, process for producing olefin polymer, process for producing propylene block copolymer, and propylene block copolymer 东邦钛株式会社 2024-01-19 CN disclosed