SCHEMBL11469732

SCHEMBL11469732

CC1=CC(c2ccccc2S(=O)(=O)c2ccccc2C2C=C(C)CCC2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 4/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
EPHX2 P34913 1/20 0.31
PKM P14618 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL10179999 0.69 HSD11B1 (0.48) ALDH1A1HTR6HSD11B1GAA
SCHEMBL10180538 0.67 PTGS2 (0.49) ALDH1A1HSD11B1GAA
SCHEMBL11469736 0.65 MAPT (0.45) ALDH1A1HTR6GAA
SCHEMBL636190 0.64 GAA (0.39) HTR6HSD11B1GAAMMP2MMP9
SCHEMBL24805470 0.64 TRPA1 (0.38) LMNAGAA
SCHEMBL23587290 0.61 CNR1 (0.33)
SCHEMBL13210401 0.61 HSD11B1 (0.62) ALDH1A1HTTHTR6HSD11B1GAA
SCHEMBL10180872 0.60 HSD11B1 (0.54) ALDH1A1HTTHTR6HSD11B1
SCHEMBL28613182 0.59 MYC (0.32) LMNA
SCHEMBL27242007 0.59 CA2 (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206140-A INSECTICIDES, ANTHELMINTICS ROUSSEL UCLAF (FR) 1980-06-03 US disclosed
US-4101574-A Cyclopropanecarboxylic acid chlorides ROUSSEL UCLAF (FR) 1978-07-18 US disclosed
US-3997586-A Cyclopropanecarboxylic acids and esters ROUSSEL-UCLAF (FR) 1976-12-14 US disclosed