SCHEMBL28770616

SCHEMBL28770616

CC(C=O)c1c(F)cc(O)c(-c2ccccc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ FABP2 P12104 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR2C P28335 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
SCHEMBL27711656 0.73 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL28583380 0.72 LMNA (0.40) PDE4AMEN1KMT2APTGS1MAPT
SCHEMBL16664291 0.70 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL16499791 0.69 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL27798054 0.68 ERN1 (0.40) MAPTHPGDKDM4EALDH1A1TDP1
SCHEMBL288453 0.68 ERN1 (0.41) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL2918748 0.67 AKR1C3 (0.63) PDE4AMEN1KMT2APTGS1MAPT
SCHEMBL4949023 0.67 AKR1C3 (0.63) PDE4AMEN1KMT2APTGS1MAPT
SCHEMBL7348404 0.67 AKR1C3 (0.63) PDE4AMEN1KMT2APTGS1MAPT
SCHEMBL27644465 0.66 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DMEN1

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
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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