SCHEMBL24875709

SCHEMBL24875709

CCOC(=O)C(CC)c1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.46
AKR1C2 P52895 11/20 0.46
F2 P00734 1/20 0.39
AKR1C1 Q04828 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
PTGS1 P23219 1/20 0.38
MMP8 P22894 1/20 0.36
GAA P10253 1/20 0.36
KCNQ2 O43526 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
SCHEMBL24875778 0.90 AKR1C3 (0.39) AKR1C3AKR1C2PTGS1MMP8
SCHEMBL24875589 0.88 AKR1C3 (0.43) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL28719127 0.85 MMP8 (0.44) AKR1C3AKR1C2PTGS1MMP8
SCHEMBL30192923 0.84 KDM4E (0.38) AKR1C3AKR1C2PTGS1MMP8
SCHEMBL24875451 0.84 KDM4E (0.38) AKR1C3AKR1C2PTGS1MMP8
SCHEMBL24875595 0.84 PTGS2 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4PTGS1
SCHEMBL20943248 0.83 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL24875421 0.82 PTGS2 (0.38) AKR1C3AKR1C2PTGS1MMP8
SCHEMBL8593582 0.81 PTGS2 (0.37) AKR1C3AKR1C2PTGS1MMP8GAA
SCHEMBL24875566 0.80 PAX8 (0.50)

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
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed