SCHEMBL8923162

SCHEMBL8923162

COC(=O)C[C@@H](c1ccc(-c2ccccc2OC)cc1)N(C=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
TNF P01375 2/20 0.39
MME P08473 1/20 0.39
MMEL1 Q495T6 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
ITGA4 P13612 3/20 0.36
ITGB1 P05556 2/20 0.36
ITGB7 P26010 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
KCNA5 P22460 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL8924568 0.91 MME (0.44) TNFMMEMMEL1PPARGPPARA
SCHEMBL7343190 0.84 KCNA5 (0.45) KCNA5
Hydrochloric Acid SCHEMBL7229517 0.73 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6184942 0.70 NR1H2 (0.36)
SCHEMBL6606177 0.67 CTSA (0.52) MMEMMEL1SLC13A5
SCHEMBL7227941 0.65 MME (0.53) TNFMMEMMEL1PPARGPPARA
SCHEMBL11839726 0.65 PPARG (0.47) MMEMMEL1PPARGPPARASLC13A5
SCHEMBL13653511 0.65 AKR1C3 (0.50) MMEMMEL1PPARGPPARASLC13A5
SCHEMBL6607584 0.65 MME (0.53) TNFMMEMMEL1PPARGPPARA
SCHEMBL9451503 0.65 DPP4 (0.41) MMEMMEL1PPARGPPARASLC13A5

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 2 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
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed