SCHEMBL9303741

SCHEMBL9303741

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR84 Q9NQS5 1/20 0.42
EGFR P00533 1/20 0.42
MAPK8 P45983 3/20 0.42
PTPN11 Q06124 1/20 0.41
LCK P06239 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE5A O76074 2/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
TP53 P04637 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL9302726 0.87 PTPN1 (0.48) SMN1; SMN2KDM4EALDH1A1HPGDPDE4B
SCHEMBL9303051 0.80 CA12 (0.45) SMN1; SMN2KDM4E
SCHEMBL9242812 0.80 GRIN2D (0.44)
SCHEMBL9302447 0.77 GRIN2D (0.41) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9301998 0.75 P2RY14 (0.61) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29138977 0.75 MEN1 (0.50) MEN1KMT2AGPR84EGFRLCK
SCHEMBL9301038 0.75 MEN1 (0.50) MEN1KMT2AGPR84EGFRLCK
SCHEMBL9302159 0.74 GPR35 (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9302396 0.74 HSD11B1 (0.39) PTPN11PDE5APDE4BPDE4D
SCHEMBL9302253 0.74 GPR35 (0.49) MEN1KMT2AKDM4EPDE5ATP53

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