SCHEMBL9305038

SCHEMBL9305038

CC(C)(C)[Si](Oc1c(C(=O)O)c(CO)c(-c2ccccc2)c2ccc(O)cc12)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
GAA P10253 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL9302893 0.87 P2RY14 (0.42) DPP4MAPT
SCHEMBL9305047 0.75 FABP3 (0.33) MEN1KMT2ALMNACCNB2CDK1
SCHEMBL9302692 0.75 ANO1 (0.35) MAPT
SCHEMBL9303153 0.67 P2RY14 (0.47) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9303553 0.64 P2RY14 (0.51) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL9242812 0.64 GRIN2D (0.44) HSD17B10ESR1ESR2
SCHEMBL5766595 0.63 PTPN1 (0.37) KDM4EMAPT
SCHEMBL9303055 0.63 ERAP1 (0.48) GAAMEN1KMT2ALMNAKDM4E
SCHEMBL31643549 0.63 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9304415 0.62 P2RY14 (0.44) KDM4EMAPT

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