SCHEMBL23617048

SCHEMBL23617048

CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2oc(C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 14/20 0.42
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.38
PPID Q08752 1/20 0.36
F11 P03951 3/20 0.36
TPSB2 P20231 3/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
BCHE P06276 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL21545179 0.94 BRD4 (0.38) CFDBRD4CREBBPPPIDBCHE
SCHEMBL21438039 0.93 CFD (0.43) CFDBRD4CREBBPPPIDF11
SCHEMBL21455196 0.93 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL23616931 0.93 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL25880899 0.93 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL21437824 0.92 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL23616932 0.92 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL25881885 0.92 BRD4 (0.36) CFDBRD4CREBBPPPIDBCHE
SCHEMBL21545298 0.92 CFD (0.41) CFDBRD4CREBBPPPIDF11
SCHEMBL21439565 0.91 CFD (0.42) CFDBRD4CREBBPF11TPSB2

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed