SCHEMBL6578639

SCHEMBL6578639

COC(=O)c1ccc(OCC(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
FFAR1 O14842 13/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.48
PPARD Q03181 3/20 0.46
PPARG P37231 1/20 0.46
NOTUM Q6P988 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL16533069 0.87 MAPT (0.48) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL12365605 0.85 LMNA (0.49) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL6582881 0.84 KCNQ3 (0.54) LMNAMAPK1HTTRAB9AKMT2A
SCHEMBL6581244 0.84 LMNA (0.50) LMNAMAPK1HTTRAB9AKMT2A
SCHEMBL5533467 0.84 FFAR1 (0.52) LMNAMAPK1HTTRAB9AFFAR1
SCHEMBL24933562 0.83 KMT2A (0.71) MAPK1MEN1KMT2ATSHR
SCHEMBL1495947 0.83 MEN1 (0.51) LMNAMEN1KMT2APPARDPPARG
SCHEMBL30163184 0.83 KMT2A (0.71) MAPK1MEN1KMT2ATSHR
SCHEMBL13125223 0.83 EGFR (0.50) LMNAMAPK1HTTRAB9AKMT2A
SCHEMBL6581250 0.82 LMNA (0.42) LMNAMAPK1HTTRAB9ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP disclosed