SCHEMBL9406419

SCHEMBL9406419

CCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(CCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TYR P14679 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
CNR2 P34972 1/20 0.33
CEL P19835 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRL1 P41146 3/20 0.32

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
SCHEMBL9406413 1.00 MAPT (0.37) MAPTGAAMEN1KMT2ATYR
SCHEMBL9405957 1.00 MAPT (0.37) MAPTGAAMEN1KMT2ATYR
SCHEMBL9405955 1.00 MAPT (0.37) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406268 1.00 MAPT (0.37) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406271 1.00 MAPT (0.37) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406123 0.99 MAPT (0.35) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406121 0.99 MAPT (0.35) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406278 0.96 MAPT (0.33) MAPTGAAMEN1KMT2ATYR
SCHEMBL9406280 0.96 MAPT (0.33) MAPTGAAMEN1KMT2ATYR
SCHEMBL23967971 0.96 MAPT (0.39) MAPTGAAMEN1KMT2ATYR

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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed