SCHEMBL7396372

SCHEMBL7396372

CC(C)(C)C(=O)Oc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPBWR1 P48145 11/20 0.52
MMP13 P45452 3/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 3/20 0.49
NPC1 O15118 4/20 0.48
CHEK2 O96017 1/20 0.47
NFKB1 P19838 2/20 0.47
MAPK1 P28482 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7394008 0.89 NPBWR1 (0.58) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL7388752 0.83 KDM4E (0.46) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7389341 0.83 AMY1A (0.45) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL7402117 0.82 KDM4E (0.61) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7396027 0.81 HPSE (0.49) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL7396880 0.80 NPBWR1 (0.51) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7389163 0.80 NPBWR1 (0.53) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL28761269 0.80 RAB9A (0.80) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL7386711 0.79 RAB9A (0.66) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL7389035 0.78 AMY1A (0.53) RAB9AMAPTSMN1; SMN2HTTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001066526-A1 ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2001-09-13 WO claimed
EP-1132381-A1 Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them CERMOL S.A. (CH) 2001-09-12 EP claimed
WO-2001066526-A1 ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2001-09-13 WO disclosed
EP-1132381-A1 Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them CERMOL S.A. (CH) 2001-09-12 EP disclosed