SCHEMBL9303054

SCHEMBL9303054

O=C(O)c1cc(-c2ccccc2)c2ccc(C(O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.55
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
AGTR1 P30556 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
SCHEMBL9302014 0.83 TTR (0.45) P2RY14TTR
SCHEMBL9301722 0.80 P2RY14 (0.63) P2RY14KDM4AKDM4BKDM4DKDM4C
SCHEMBL10988314 0.79 MEN1 (0.59) P2RY14KDM4AKDM4BKDM4DKDM4C
SCHEMBL9301210 0.75 P2RY14 (0.68) P2RY14CYP3A4
SCHEMBL8089430 0.75 PTPN1 (0.53) TTR
SCHEMBL10900757 0.73 GRIN2D (0.53) P2RY14KDM4AKDM4BKDM4DKDM4C
SCHEMBL7907125 0.72 RARB (0.54) PTGS2
SCHEMBL3752178 0.71 P2RY14 (0.46) P2RY14CYP3A4KCNH2PDE2APDE5A
SCHEMBL9300510 0.71 P2RY14 (1.00) P2RY14
SCHEMBL30363668 0.70 MEN1 (0.55) P2RY14TTR

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