SCHEMBL28790125

SCHEMBL28790125

CC(=O)O[C@@H]1[C@H](CCOCc2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HINT1 P49773 1/20 0.42
▸ ACHE P22303 3/20 0.41
▸ PNP P00491 1/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39

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
SCHEMBL29558174 0.91 KDM4E (0.46) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL23827894 0.91 KDM4E (0.46) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29557868 0.91 KDM4E (0.46) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29558193 0.91 TAS1R3 (0.45) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29558256 0.91 TAS1R3 (0.45) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29558873 0.91 TAS1R3 (0.45) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29557884 0.89 TAS1R3 (0.43) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29557782 0.88 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29557705 0.88 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EHINT1ACHE
SCHEMBL29546317 0.87 ACHE (0.46) TAS1R3TAS1R1KDM4EHINT1ACHE

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-114786729-A antibody-STING agonist conjugates and their use in immunotherapy 免疫传感器治疗股份有限公司 2022-07-22 — — CN disclosed
EP-3999118-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY Immunesensor Therapeutics, Inc. (US) 2022-05-25 — — EP disclosed
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