SCHEMBL7205668

SCHEMBL7205668

CC(OC(=O)C(C)C)Oc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1OC(C)OC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR2A P28223 1/20 0.39
LMNA P02545 2/20 0.39
CYP19A1 P11511 2/20 0.39
HTT P42858 3/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.37
EPHX1 P07099 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7205670 0.91 MEN1 (0.39) SMN1; SMN2ALDH1A1HTR2ALMNACYP19A1
SCHEMBL24992 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTR2ALMNAHTT
SCHEMBL2235530 0.73 HTR2A (0.54) SMN1; SMN2ALDH1A1HTR2ALMNAHTT
SCHEMBL28216680 0.72 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL5492543 0.72 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL24993 0.72 MEN1 (0.40) SMN1; SMN2ALDH1A1LMNATDP1MEN1
SCHEMBL636942 0.72 MEN1 (0.40) SMN1; SMN2ALDH1A1LMNATDP1MEN1
SCHEMBL27590312 0.71 HSD17B10 (0.49) SMN1; SMN2ALDH1A1LMNAHTTPKM
SCHEMBL27590300 0.71 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNACYP19A1HTT
SCHEMBL5147270 0.71 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAHTTPKM

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-20030158089-A1 Administrative agents via the SMVT transporter XENOPORT, INC. 2003-08-21 US disclosed