SCHEMBL9303702

SCHEMBL9303702

O=C(Nc1ccccc1)c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
NR1H4 Q96RI1 4/20 0.49
ALOX5 P09917 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DHODH Q02127 1/20 0.45
MET P08581 1/20 0.45

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
SCHEMBL9305354 0.88 P2RY14 (0.60) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9303687 0.85 P2RY14 (0.57) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9303261 0.81 P2RY14 (0.57) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9303016 0.79 P2RY14 (0.61) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9301998 0.77 P2RY14 (0.61) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9301696 0.74 P2RY14 (0.55) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9302917 0.74 P2RY14 (0.55) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB
SCHEMBL9302951 0.73 P2RY14 (0.56) P2RY14ALOX5MAOBMAOA
SCHEMBL11690669 0.72 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9302836 0.71 P2RY14 (0.51) P2RY14SMN1; SMN2ALDH1A1ALOX5MAOB

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