SCHEMBL22150335

SCHEMBL22150335

Cc1cc(C(=O)O)n(CCOCCOCC(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.37
▸ SORT1 Q99523 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ APAF1 O14727 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ STING1 Q86WV6 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPT P10636 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
SCHEMBL22150499 0.83 TDP1 (0.41) GRNSORT1ALDH1A1MEN1GAA
SCHEMBL22121357 0.80 KDM4E (0.49) GRNSORT1KDM4ELMNAAPAF1
SCHEMBL22151650 0.76 KDM4E (0.41) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL2518853 0.75 HCAR3 (0.45) GRNSORT1ALDH1A1MEN1GAA
SCHEMBL22151409 0.75 KDM4E (0.40) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL12307407 0.74 STING1 (0.44) GRNSORT1ALDH1A1MEN1GAA
SCHEMBL21628345 0.74 GRN (0.40) GRNSORT1ALDH1A1MEN1GAA
SCHEMBL798561 0.74 GRN (0.49) GRNSORT1ALDH1A1MEN1GAA
SCHEMBL22932727 0.73 CNR1 (0.42) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL31068479 0.72 ALDH1A1 (0.43) GRNSORT1ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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