SCHEMBL9301696

SCHEMBL9301696

CC(O)c1c(C(=O)O)cc2cc(OCc3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.55
ALOX5 P09917 3/20 0.51
SLC16A3 O15427 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MDH2 P40926 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 2/20 0.45
MCL1 Q07820 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOA P21397 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 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
SCHEMBL9302836 0.88 P2RY14 (0.51) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9305354 0.83 P2RY14 (0.60) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9303261 0.82 P2RY14 (0.57) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9301998 0.81 P2RY14 (0.61) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9302917 0.80 P2RY14 (0.55) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9303687 0.78 P2RY14 (0.57) P2RY14ALOX5SLC16A3ALDH1A1HPGD
SCHEMBL9303779 0.76 P2RY14 (0.50) P2RY14ALOX5SRD5A2MAOBMAOA
SCHEMBL9303283 0.76 ALOX5 (0.42) P2RY14ALOX5ALDH1A1HPGDMEN1
SCHEMBL9303279 0.75 ALOX5 (0.41) P2RY14ALOX5ALDH1A1HPGDMAOB
SCHEMBL9303702 0.74 P2RY14 (0.53) P2RY14ALOX5ALDH1A1SMN1; SMN2MAOB

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