SCHEMBL29557868

SCHEMBL29557868

CC(=O)OC1[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@H](COC(=O)c2ccccc2)[C@H]1CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ PNP P00491 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HINT1 P49773 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40

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
SCHEMBL23827894 1.00 KDM4E (0.46) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29558174 1.00 KDM4E (0.46) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29558873 0.94 TAS1R3 (0.45) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29558193 0.94 TAS1R3 (0.45) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29558256 0.94 TAS1R3 (0.45) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29557884 0.92 TAS1R3 (0.43) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL28790125 0.91 TAS1R3 (0.43) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29557705 0.91 TAS1R3 (0.44) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL29557782 0.91 TAS1R3 (0.44) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL12582835 0.89 MEN1 (0.51) KDM4ETAS1R3TAS1R1PNPGSK3A

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
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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