SCHEMBL9302253

SCHEMBL9302253

COc1cccc(-c2c(CO)c(C(=O)O)cc3cc(O)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.49
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DHODH Q02127 2/20 0.44
ESR1 P03372 1/20 0.44
PPARD Q03181 2/20 0.42
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
VDR P11473 2/20 0.41
GCGR P47871 1/20 0.41

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
SCHEMBL9302159 0.87 GPR35 (0.46) GPR35MAPTHSD17B10ESR1PDE5A
SCHEMBL9242812 0.84 GRIN2D (0.44) GPR35HSD17B10ESR1CYP3A4CYP2C9
SCHEMBL9255770 0.77 CYP3A4 (0.46) GPR35MAPTDHODHPDE5APDE4A
SCHEMBL9302889 0.76 ESR1 (0.41) GPR35HSD17B10DHODHESR1PPARD
SCHEMBL9302205 0.76 ESR1 (0.44) GPR35HSD17B10DHODHESR1MIF
SCHEMBL9255419 0.75 ACMSD (0.44) GPR35HSD17B10DHODH
SCHEMBL9303171 0.75 POLB (0.43) GPR35HSD17B10ESR1CYP3A4CYP2C9
SCHEMBL9262474 0.74 POLB (0.41) GPR35MAPTHSD17B10ESR1PPARG
SCHEMBL9269222 0.74 HSD17B1 (0.42) GPR35HSD17B10TSHR
SCHEMBL9303741 0.74 MEN1 (0.52) PDE5APDE4BPDE4DKMT2AKDM4E

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