SCHEMBL7205670

SCHEMBL7205670

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
CYP19A1 P11511 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TTR P02766 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
SCHEMBL7205668 0.91 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL636942 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL24993 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3639263 0.79 HTT (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL27164 0.79 LMNA (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1249807 0.77 HTT (0.58) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7200631 0.76 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7200623 0.76 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3067746 0.75 MAPT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3067750 0.75 MAPT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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