SCHEMBL9303153

SCHEMBL9303153

CC(=O)Oc1c(C(=O)O)c(CO)c(-c2ccccc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.47
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 4/20 0.42
ANO1 Q5XXA6 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MDH2 P40926 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EDNRA P25101 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
BACE1 P56817 2/20 0.40

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
SCHEMBL9303553 0.84 P2RY14 (0.51) P2RY14CASP3SENP8SENP7SENP6
SCHEMBL9302893 0.82 P2RY14 (0.42) P2RY14CASP3SENP8SENP7SENP6
SCHEMBL9301998 0.74 P2RY14 (0.61) P2RY14MAOBALDH1A1HPGDMDH2
SCHEMBL9627496 0.72 CASP3 (0.48) CASP3SENP8SENP7SENP6MAOB
SCHEMBL9303016 0.72 P2RY14 (0.61) P2RY14CASP3SENP8SENP7SENP6
SCHEMBL9304278 0.71 P2RY14 (0.51) P2RY14CASP3SENP8SENP7SENP6
SCHEMBL9302951 0.70 P2RY14 (0.56) P2RY14CASP3SENP8SENP7SENP6
SCHEMBL9627356 0.70 MAOB (0.48) CASP3SENP8SENP7SENP6MAOB
SCHEMBL9301951 0.70 P2RY14 (0.55) P2RY14MAOB
SCHEMBL9305354 0.69 P2RY14 (0.60) P2RY14MAOBALDH1A1HPGDMDH2

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