SCHEMBL11568427

SCHEMBL11568427

CC1CC(C(=O)O)(c2ccc(F)cc2)C1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
HSD11B1 P28845 9/20 0.45
CYP2D6 P10635 1/20 0.41
PTGS2 P35354 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11479657 0.85 CCR2 (0.46) CCR2HSD11B1PTGS2MAOBMAOA
SCHEMBL11486398 0.85 KDM4E (0.35) CCR2HTTMEN1KMT2AALDH1A1
SCHEMBL11487632 0.79 CYP2D6 (0.49) CCR2HSD11B1CYP2D6MEN1KMT2A
SCHEMBL4944760 0.77 CYP2D6 (0.47) CCR2HSD11B1CYP2D6MEN1KMT2A
SCHEMBL3744181 0.75 HSD11B1 (0.44) CCR2HSD11B1PTGS2MAOBMAOA
SCHEMBL27952891 0.75 HSD11B1 (0.44) CCR2HSD11B1PTGS2MAOBMAOA
SCHEMBL5791908 0.75 HSD11B1 (0.44) CCR2HSD11B1PTGS2MAOBMAOA
SCHEMBL11493927 0.74 CCR2 (0.51) CCR2HSD11B1PTGS2MAOBMAOA
SCHEMBL11487589 0.71 HSD11B1 (0.56) CCR2HSD11B1PTGS2HTTATM
SCHEMBL1581700 0.71 HSD11B1 (0.42) CCR2HSD11B1CYP2D6PTGS2

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-0001566-A2 Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides BAYER AG (DE) 1979-05-02 EP disclosed