SCHEMBL9268228

SCHEMBL9268228

COC1=C(c2ccc(F)cc2)C(=O)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.50
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 1/20 0.41
AR P10275 1/20 0.41
PTGS2 P35354 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.38
TNKS O95271 1/20 0.38
MITF O75030 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9270224 0.83 HPGD (0.42) PTGS1ALDH1A1MAPTHTTMEN1
SCHEMBL9275446 0.83 PDE4B (0.57) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL9274767 0.83 ME2 (0.52) PTGS1MAPTMEN1KMT2APDE4B
SCHEMBL9275486 0.82 PDE4B (0.61) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL9274969 0.81 MEN1 (0.42) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9270824 0.81 PDE4B (0.41) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL9272045 0.81 PTGS1 (0.52) PTGS1ALDH1A1LMNAHPGDPTGS2
SCHEMBL9271698 0.74 EDNRB (0.43) PTGS1MAPTHTTMEN1KMT2A
SCHEMBL9270914 0.73 MAPT (0.44) ALDH1A1MAPTHTTMEN1LMNA
SCHEMBL30320677 0.72 ME2 (0.57) PTGS1ALDH1A1MAPTMEN1LMNA

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-0423482-B1 5H-furan-2-one derivatives BAYER AG (DE) 1995-01-11 EP claimed