SCHEMBL6003898

SCHEMBL6003898

[CH2]COc1cccc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
CYSLTR1 Q9Y271 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
TP53 P04637 2/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL72899 0.87 MRGPRX4 (0.57) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL644216 0.85 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL31442462 0.85 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL27439509 0.83 MRGPRX4 (0.59) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL27657867 0.83 LOXL2 (0.61) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL27801100 0.83 MRGPRX4 (0.56) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL3069825 0.83 MRGPRX4 (0.56) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL27800201 0.83 MRGPRX4 (0.56) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL27956214 0.83 MRGPRX4 (0.56) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL7045225 0.83 MAOB (0.64) SMN1; SMN2MEN1KMT2A

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed