SCHEMBL9368014

SCHEMBL9368014

CC(C)(NC(CCc1ncc[nH]1)OC(=O)CC(O)(CC(=O)O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 6/20 0.35
NAMPT P43490 5/20 0.35
CYP19A1 P11511 1/20 0.33
ACLY P53396 1/20 0.33
TBXAS1 P24557 2/20 0.33
HSD11B1 P28845 1/20 0.33
FFAR2 O15552 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL8445986 0.78 LMNA (0.44) TBXAS1
SCHEMBL9368125 0.69 CYP19A1 (0.41) NAMPTCYP19A1TBXAS1HSD11B1FFAR2
SCHEMBL9368177 0.65 NAMPT (0.43) NAMPTCYP19A1TBXAS1TAAR1
SCHEMBL9367836 0.64 TERT (0.41) NAMPTCYP19A1TBXAS1HSD11B1TAAR1
SCHEMBL7876980 0.64 TAAR1 (0.45) CYP19A1HSD11B1FFAR2TAAR1
SCHEMBL9021042 0.63 TAAR1 (0.41) NAMPTCYP19A1HSD11B1FFAR2TAAR1
SCHEMBL7571292 0.62 ALDH1A1 (0.42) SLC13A5TBXAS1
Citric Acid SCHEMBL8445980 0.62 LMNA (0.54)
SCHEMBL8780738 0.61 NAMPT (0.71) NAMPT
SCHEMBL24020497 0.59 MIF (0.66) SLC13A5

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-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed