SCHEMBL4643463

SCHEMBL4643463

CCOC(=O)CCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
APP P05067 2/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.45
MITF O75030 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL30201064 0.86 POLB (0.50) APPMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1694828 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5416433 0.86 POLB (0.50) APPMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL27972753 0.85 CYP4F2 (0.54) CYP4F2CYP4A11APPMAPTALDH1A1
SCHEMBL9375548 0.81 POLB (0.50) MAPTALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL4644934 0.81 CYP4F2 (0.50) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL30291871 0.81 APP (0.73) CYP4F2CYP4A11APPMAPTALDH1A1
SCHEMBL490911 0.81 APP (0.73) CYP4F2CYP4A11APPMAPTALDH1A1
SCHEMBL11009236 0.81 IAPP (0.53) MAPTALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL4644322 0.80 CYP4F2 (0.52) CYP4F2CYP4A11APPMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101941950-A 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2011-01-12 CN claimed
CN-101830894-B Benzo[d]oxazole compounds and preparation method thereof UNIV SHANGHAI JIAOTONG 2013-05-29 CN disclosed
CN-101941950-B 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2012-12-26 CN disclosed
CN-101941950-A 2-substituted benzo-[d] oxazole-5-propionic acid compound and preparation method and applications thereof UNIV SHANGHAI JIAOTONG 2011-01-12 CN disclosed
CN-101830894-A Benzo[d]oxazole compounds and preparation method thereof UNIV SHANGHAI JIAOTONG 2010-09-15 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed