SCHEMBL6002870

SCHEMBL6002870

[CH2]C(C)(C)OCCCCCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
DGKA P23743 1/20 0.31
PDK2 Q15119 1/20 0.31
LTB4R Q15722 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL19220764 0.83 SOAT1 (0.39) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL19220763 0.81 SOAT1 (0.36) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL7097731 0.74 SOAT1 (0.33) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL18691337 0.72 TSHR (0.40) MEN1KMT2A
SCHEMBL27980926 0.72 TSHR (0.40) MEN1KMT2A
SCHEMBL2092807 0.72 KMT2A (0.39) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL11892304 0.72 ALDH1A1 (0.67) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL2095999 0.72 KMT2A (0.39) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL2092810 0.72 ALDH1A1 (0.67) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL311090 0.72 ALDH1A1 (0.67) SOAT1MEN1FAAHTP53CYP1A2

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