SCHEMBL6809762

SCHEMBL6809762

CN(C)C(=O)COc1ccc(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6813898 0.84 CYP4F2 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL6812687 0.79 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8867007 0.78 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL4182115 0.77 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL5642071 0.75 CTSV (0.56) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6813683 0.73 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL1990199 0.73 MAPK1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL18586978 0.73 TTR (0.52) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL5913597 0.73 LMNA (0.62) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL7467338 0.72 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1242983-C Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2006-02-22 CN disclosed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
CN-1308603-A Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2001-08-15 CN disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed