SCHEMBL4745955

SCHEMBL4745955

O=C(O)c1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.61
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
THRB P10828 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 2/20 0.58
BLM P54132 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
MAOB P27338 1/20 0.58
LPAR1 Q92633 1/20 0.55
LPAR5 Q9H1C0 1/20 0.55
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PPARA Q07869 1/20 0.53

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
SCHEMBL14044001 0.87 FFAR1 (0.79) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043905 0.86 FFAR1 (0.58) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043904 0.86 FFAR1 (0.60) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043851 0.85 MEN1 (0.66) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043656 0.84 NR4A2 (0.69) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043995 0.84 MAPT (0.76) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043993 0.81 FFAR1 (0.65) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043640 0.80 FFAR1 (0.61) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL14043907 0.80 FFAR1 (0.67) FFAR1MEN1MAPTTHRBKMT2A
SCHEMBL4748821 0.80 FFAR1 (0.74) FFAR1TDP1

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
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed