SCHEMBL28624583

SCHEMBL28624583

CCCc1cccc2c1C(O)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ELANE P08246 2/20 0.36
CTSG P08311 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2B P41595 2/20 0.34
HTR7 P34969 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
SCHEMBL28108135 0.90 BCHE (0.41) BCHEACHEELANECTSGCYP3A4
SCHEMBL8752773 0.88 LIPG (0.47) BCHEACHEELANECTSGCYSLTR2
SCHEMBL29151907 0.86 GABRA1 (0.45) BCHEACHEGABRA1GABRB2KDM4E
SCHEMBL18242612 0.80 ACHE (0.37) BCHEACHEELANECTSGGPR3
SCHEMBL6759445 0.79 HTR2A (0.39) BCHEACHEELANECTSGCYP2C19
SCHEMBL11777171 0.78 SIGMAR1 (0.43) KDM4EHTR2BGPR3HTR2A
SCHEMBL28205422 0.77 BCL2 (0.39) ELANECTSGMAPTHTR2A
SCHEMBL28488359 0.76 CYSLTR2 (0.33) BCHETP53CYP2D6MAPTHTR2A
SCHEMBL11783880 0.74 HTR2B (0.51) ACHEKDM4EMEN1ALDH1A1TP53
Water SCHEMBL27413384 0.73 HTR2B (0.50) ACHEKDM4EMEN1ALDH1A1TP53

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
CN-113302213-B Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2023-04-14 CN disclosed
CN-113302213-A Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2021-08-24 CN disclosed