SCHEMBL9302726

SCHEMBL9302726

O=C(O)c1ccc2c(-c3ccccc3)c(CO)c(C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
P2RY14 Q15391 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38
KMO O15229 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9303741 0.87 MEN1 (0.52) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL9242812 0.86 GRIN2D (0.44) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9303051 0.86 CA12 (0.45) PTPN1P2RY14GRIN2DGRIN2AGRIN2B
SCHEMBL9302447 0.83 GRIN2D (0.41) PTPN1P2RY14GRIN2DGRIN2AGRIN2B
SCHEMBL9301998 0.79 P2RY14 (0.61) P2RY14KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9448663 0.78 PTPN1 (0.58) PTPN1GRIN2DGRIN2AGRIN2CKDM4E
SCHEMBL9302396 0.77 HSD11B1 (0.39) PTPN1P2RY14GRIN2DGRIN2AGRIN2B
SCHEMBL9303171 0.76 POLB (0.43) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL5189717 0.75 P2RY14 (0.44) PTPN1P2RY14KDM4ENPC1ALDH1A1
SCHEMBL9302889 0.75 ESR1 (0.41) KDM4ENPC1ALDH1A1GAAHPGD

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