SCHEMBL6813898

SCHEMBL6813898

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NTSR1 P30989 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46
TLR9 Q9NR96 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
S1PR4 O95977 1/20 0.46
ITGA4 P13612 1/20 0.46

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
SCHEMBL6813683 0.89 LMNA (0.46) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL5415394 0.87 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL16413003 0.84 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL6809762 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL182652 0.82 MAPT (0.52) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL6960 0.81 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL4261703 0.81 MAPT (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL7447406 0.81 MAPK1 (0.54) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL6809923 0.81 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL5419211 0.81 MAPT (0.46) ALDH1A1MAPTLMNAHPGDNPSR1

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