SCHEMBL7034248

SCHEMBL7034248

CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])c(C(C(C)=O)C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
PKM P14618 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 3/20 0.37
HPGD P15428 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP10 Q14694 1/20 0.36

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
SCHEMBL7035878 0.94 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL27406843 0.88 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL7036922 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL7028236 0.80 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL19255154 0.78 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL11152796 0.77 NPSR1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL142930 0.77 THRB (0.44) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL7035586 0.77 THRB (0.52) ALDH1A1MAPTLMNAMAPK1KMT2A
SCHEMBL6072903 0.76 HPD (0.47) ALDH1A1MAPTLMNAMAPK1KMT2A
SCHEMBL7036366 0.76 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2NPSR1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922704-B1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2003-03-05 EP disclosed
US-6111115-A Preparation of 2-(10,11-dihydro-10-oxodibenzo-[b,f]thiepin-2-yl) propionic acid NIPPON CHEMIPHAR CO., LTD. (JP) 2000-08-29 US disclosed
EP-0922704-A1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO., LTD. (JP) 1999-06-16 EP disclosed