SCHEMBL8800484

SCHEMBL8800484

O=C(c1ccccc1-c1ccccc1F)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.51
CES1 P23141 5/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL30013497 0.86 CES2 (0.68) CES2CES1LMNAMEN1KMT2A
SCHEMBL650572 0.86 CES2 (0.68) CES2CES1LMNAMEN1KMT2A
SCHEMBL3461505 0.84 LMNA (0.55) CES2CES1LMNAKMT2AMAPK1
SCHEMBL4935172 0.81 CES2 (0.68) CES2CES1LMNAMEN1KMT2A
SCHEMBL23854664 0.81 LMNA (0.52) CES2CES1LMNAMEN1KMT2A
SCHEMBL665133 0.81 LMNA (0.55) CES2CES1LMNAMEN1KMT2A
SCHEMBL31396839 0.80 LMNA (0.59) CES2CES1LMNAMEN1KMT2A
SCHEMBL30716847 0.80 ALB (0.58) CES2CES1LMNAMEN1KMT2A
SCHEMBL8799601 0.80 LMNA (0.50) CES2CES1LMNAMEN1KMT2A
SCHEMBL28887353 0.80 LMNA (0.50) CES2CES1LMNAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed