SCHEMBL25300121

SCHEMBL25300121

COC(=O)c1c[nH]c2ccc(C3CC(=O)C3)cc12.COC(=O)c1c[nH]c2ccc([C@H]3C[C@@H](O)C3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 9/20 0.52
▸ CREBBP Q92793 1/20 0.46
▸ PRKAB2 O43741 2/20 0.44
▸ PRKAG1 P54619 2/20 0.44
▸ PRKAA2 P54646 2/20 0.44
▸ PRKAA1 Q13131 2/20 0.44
▸ PRKAG3 Q9UGI9 2/20 0.44
▸ PRKAG2 Q9UGJ0 2/20 0.44
▸ PRKAB1 Q9Y478 2/20 0.44
▸ HTR4 Q13639 3/20 0.39
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL25300122 1.00 NR4A2 (0.52) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL25303322 0.93 NR4A2 (0.59) NR4A2CREBBPHTR4TLR9TLR8
SCHEMBL30589687 0.93 NR4A2 (0.59) NR4A2CREBBPHTR4TLR9TLR8
SCHEMBL25294848 0.93 NR4A2 (0.59) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL30589684 0.93 NR4A2 (0.59) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL25294847 0.93 NR4A2 (0.59) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL25296635 0.79 NR4A2 (0.48) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL30589681 0.79 NR4A2 (0.48) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL25260065 0.79 NR4A2 (0.48) NR4A2CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL25978407 0.77 NR4A2 (0.60) NR4A2CREBBPHTR4MEN1MITF

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
EP-4463442-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2024-11-20 — — EP disclosed
WO-2023137034-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-07-20 — — WO disclosed
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