SCHEMBL8924568

SCHEMBL8924568

COc1ccccc1-c1ccc([C@H](CC(=O)O)N(C=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
SLC13A5 Q86YT5 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSA P10619 10/20 0.41
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TNF P01375 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL8923162 0.91 PDE4A (0.39) MMEMMEL1SLC13A5PPARGPPARA
SCHEMBL7343190 0.76 KCNA5 (0.45)
SCHEMBL6184942 0.74 NR1H2 (0.36)
SCHEMBL6607584 0.73 MME (0.53) MMEMMEL1SLC13A5PPARGPPARA
SCHEMBL7227941 0.73 MME (0.53) MMEMMEL1SLC13A5PPARGPPARA
Hydrochloric Acid SCHEMBL6607511 0.72 MME (0.52) MMEMMEL1SLC13A5PPARGPPARA
SCHEMBL6606177 0.72 CTSA (0.52) MMEMMEL1SLC13A5CTSA
SCHEMBL3677263 0.67 AKR1C3 (0.66) SLC13A5PPARGPPARAAKR1C3AKR1C2
SCHEMBL11845407 0.67 PPARG (0.54) MMEMMEL1SLC13A5PPARGPPARA
SCHEMBL5204458 0.67 PPARG (0.54) MMEMMEL1SLC13A5PPARGPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed