SCHEMBL6981945

SCHEMBL6981945

COc1cc(C(C(Br)C=O)C2CCCCC2)c(OC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.40
GAA P10253 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTR2A P28223 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6985858 0.80 HTT (0.38) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL7682179 0.74 HTT (0.40) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL6980776 0.74 HTT (0.40) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL8143426 0.70 HTT (0.40) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL3843668 0.70 HTT (0.40) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL3843016 0.68 HTT (0.39) HTTGAAMEN1KMT2AL3MBTL1
SCHEMBL9070627 0.67 GAA (0.48) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10709995 0.62 SMN1; SMN2 (0.44) GAAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL14661745 0.62 POLB (0.52) GAAPOLBGFER
SCHEMBL6987389 0.62 ELANE (0.42) HTTGAAMEN1KMT2AL3MBTL1

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-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed