SCHEMBL9623329

SCHEMBL9623329

CC1(C)C(C(=O)OCc2c(F)c(F)c(CO)c(F)c2F)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL10598392 0.91 MEN1 (0.43) MEN1KMT2ATDP1MMP1MMP2
SCHEMBL17898446 0.87 TDP1 (0.52) MEN1KMT2ATDP1MMP1MMP2
SCHEMBL438038 0.87 MEN1 (0.40) MEN1KMT2ATDP1MMP1MMP2
SCHEMBL9789513 0.85 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL27545260 0.84 MEN1 (0.39) MEN1KMT2ATDP1MMP1MMP2
SCHEMBL3253082 0.83 MEN1 (0.38) MEN1KMT2ATDP1
SCHEMBL11283462 0.81 MEN1 (0.40) MEN1KMT2ATDP1
SCHEMBL439670 0.81 MEN1 (0.38) MEN1KMT2ATDP1
SCHEMBL10585220 0.81 MEN1 (0.38) MEN1KMT2ATDP1
SCHEMBL19688386 0.81 MEN1 (0.47) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302612-B1 INSECTICIDAL COMPOUNDS CHARACTERISED BY ENHANCED KNOCKDOWN EFFECT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-04 EP claimed
US-4927852-A TETRAFLUOROBENZENE CYCLOPROPANECARBOXYLATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-22 US claimed
EP-0302612-A1 Insecticidal compounds characterised by enhanced knockdown effect IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-08 EP claimed
EP-0302612-B1 INSECTICIDAL COMPOUNDS CHARACTERISED BY ENHANCED KNOCKDOWN EFFECT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-04 EP disclosed
US-4927852-A TETRAFLUOROBENZENE CYCLOPROPANECARBOXYLATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-22 US disclosed
EP-0302612-A1 Insecticidal compounds characterised by enhanced knockdown effect IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-08 EP disclosed