SCHEMBL9303553

SCHEMBL9303553

O=C(O)c1c(CO)c(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.51
MAOB P27338 2/20 0.44
MCL1 Q07820 1/20 0.44
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.43
TSHR P16473 1/20 0.43
ANO1 Q5XXA6 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MDH2 P40926 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9303153 0.84 P2RY14 (0.47) P2RY14MAOBSMN1; SMN2ANO1CASP3
SCHEMBL9305209 0.81 ANO1 (0.39) P2RY14ALOX5ANO1MAPT
SCHEMBL9302893 0.79 P2RY14 (0.42) P2RY14MAOBMCL1ALOX5ANO1
SCHEMBL9301998 0.78 P2RY14 (0.61) P2RY14MAOBMCL1NR4A2NR4A1
SCHEMBL9303016 0.76 P2RY14 (0.61) P2RY14MAOBNR4A2NR4A1NR4A3
SCHEMBL9301951 0.74 P2RY14 (0.55) P2RY14MAOBALOX5MAPT
SCHEMBL9305354 0.73 P2RY14 (0.60) P2RY14MAOBMCL1NR4A2NR4A1
SCHEMBL9303687 0.70 P2RY14 (0.57) P2RY14MAOBMCL1NR4A2NR4A1
SCHEMBL9302951 0.70 P2RY14 (0.56) P2RY14MAOBALOX5CASP3SENP8
SCHEMBL8147522 0.69 TNKS2 (0.60) P2RY14MAOBNR4A2NR4A1NR4A3

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-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed