SCHEMBL11487589

SCHEMBL11487589

CC1C(C)C(C(=O)O)(c2ccc(F)cc2)C1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.56
CCR2 P41597 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PTGS2 P35354 1/20 0.35
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL3030606 0.71 HSD11B1 (1.00) HSD11B1MEN1KMT2A
SCHEMBL11568427 0.71 CCR2 (0.47) HSD11B1CCR2MEN1KMT2APTGS2
SCHEMBL11493927 0.69 CCR2 (0.51) HSD11B1CCR2MEN1KMT2APTGS2
SCHEMBL11487632 0.68 CYP2D6 (0.49) HSD11B1CCR2MEN1KMT2AAPP
SCHEMBL17761265 0.67 CYP3A4 (0.48) HSD11B1CCR2MEN1KMT2AAPP
SCHEMBL25502573 0.66 MAOB (0.43) HSD11B1CCR2HTTATM
SCHEMBL14300090 0.66 HSD11B1 (0.70) HSD11B1MEN1KMT2AHTT
SCHEMBL4944760 0.66 CYP2D6 (0.47) HSD11B1CCR2MEN1KMT2AAPP
SCHEMBL20540105 0.65 HSD11B1 (0.47) HSD11B1MEN1KMT2APTGS2
Acetic Acid SCHEMBL27477631 0.65 CES2 (0.55) HSD11B1MEN1KMT2A

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-0001566-B1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1980-11-26 EP disclosed
EP-0001566-A2 Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides BAYER AG (DE) 1979-05-02 EP disclosed