SCHEMBL8777915

SCHEMBL8777915

CC(C)(C)c1cc(C(=O)Oc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
GALR3 O60755 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SERPINE1 P05121 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
ALOX5 P09917 3/20 0.44
PTGES O14684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
TNFRSF1A P19438 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL2374902 0.82 SERPINE1 (0.54) ALDH1A1SMN1; SMN2SERPINE1ALOX5TDP1
SCHEMBL28005923 0.80 MAPT (0.59) TTRMAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL8777982 0.79 TSHR (0.58) SMN1; SMN2SERPINE1NR1H4ALOX5TDP1
SCHEMBL11739738 0.78 SERPINE1 (0.47) MAPTCYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL17165000 0.78 MAPT (0.68) TTRMAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL29405185 0.77 MEN1 (0.51) TTRMAPTCYP2C9ALDH1A1HTT
SCHEMBL30727558 0.77 MAPT (0.71) TTRMAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL527543 0.77 MAPT (0.71) TTRMAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL9638781 0.77 NR1H4 (0.53) MAPTALDH1A1HTTKMT2AL3MBTL1
SCHEMBL11786628 0.76 SELL (0.52) HTTKMT2AL3MBTL1MEN1SERPINE1

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-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed