SCHEMBL6984545

SCHEMBL6984545

COc1ccc(C(C(C)=O)C2CCCCC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3849979 0.78 TSHR (0.48) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL7100679 0.75 POLB (0.55) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL6987350 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL8827886 0.74 SLC6A3 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8625795 0.71 MEN1 (0.43) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL29577035 0.70 GRIN2D (0.48) MEN1KMT2ATSHRRAB9A
SCHEMBL7098532 0.70 POLB (0.47) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14862759 0.70 KMT2A (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL6703810 0.69 MAPT (0.48) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL5730137 0.69 CYP1A2 (0.44) MEN1KMT2AALDH1A1HTTMAPT

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