SCHEMBL6980776

SCHEMBL6980776

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.40
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 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
SCHEMBL7682179 1.00 HTT (0.40) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6985858 0.82 HTT (0.38) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL3843668 0.81 HTT (0.40) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL8143426 0.81 HTT (0.40) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL3843016 0.79 HTT (0.39) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL3849973 0.76 HTT (0.34) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6981945 0.74 HTT (0.40) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6987350 0.69 MEN1 (0.45) HTTMEN1KMT2AL3MBTL1TSHR
SCHEMBL8140543 0.64 KDM4E (0.43) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24467293 0.64 TAAR1 (0.47) GAAMEN1KMT2ASMN1; SMN2KDM4E

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