SCHEMBL9303016

SCHEMBL9303016

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.61
ALOX5 P09917 2/20 0.54
SRD5A2 P31213 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 1/20 0.45
NR4A2 P43354 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL9302951 0.91 P2RY14 (0.56) P2RY14ALOX5SRD5A2LTB4RLTB4R2
SCHEMBL9303007 0.87 MRGPRX4 (0.50) P2RY14SRD5A2MRGPRX4MAOBNR4A2
SCHEMBL9305354 0.86 P2RY14 (0.60) P2RY14ALOX5SRD5A2KDM4EALDH1A1
SCHEMBL9301951 0.84 P2RY14 (0.55) P2RY14ALOX5MAOB
SCHEMBL9303687 0.83 P2RY14 (0.57) P2RY14ALOX5SRD5A2KDM4EALDH1A1
SCHEMBL9301998 0.81 P2RY14 (0.61) P2RY14ALOX5SRD5A2KDM4EALDH1A1
SCHEMBL9303261 0.81 P2RY14 (0.57) P2RY14ALOX5SRD5A2KDM4EALDH1A1
SCHEMBL9304278 0.80 P2RY14 (0.51) P2RY14ALOX5SRD5A2LTB4RLTB4R2
SCHEMBL9303702 0.79 P2RY14 (0.53) P2RY14ALOX5ALDH1A1MAOBSMN1; SMN2
SCHEMBL9303779 0.79 P2RY14 (0.50) P2RY14ALOX5SRD5A2LTB4RLTB4R2

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