SCHEMBL6010756

SCHEMBL6010756

CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ESR1 P03372 1/20 0.45
GPR35 Q9HC97 1/20 0.44
TTR P02766 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 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
SCHEMBL9988172 0.87 ALDH1A1 (0.52) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL11075976 0.85 GPR35 (0.59) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL10877588 0.84 GPR35 (0.55) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL2310798 0.84 TDP1 (0.48) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL2312711 0.83 MAPT (0.54) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL267821 0.81 MAPT (0.65) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL27516180 0.81 ALDH1A1 (0.49) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL7021997 0.81 GPR35 (0.60) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL11682561 0.79 AKR1C4 (0.55) ALDH1A1NPSR1HPGDMAPT
SCHEMBL31563703 0.79 TTR (0.50) ALDH1A1LMNAPOLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
CN-1333771-A Benzoxazole derivative and drug containing the same as active ingredient MEIJI SEIKA KAISHA (JP) 2002-01-30 CN disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed