SCHEMBL2669360

SCHEMBL2669360

Bc1ccc(C(=O)OCc2ccccc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 3/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
STAT3 P40763 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL522838 0.85 ALDH1A1 (0.57) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6832741 0.85 TDP1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL18782372 0.84 ALDH1A1 (0.64) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL2146000 0.82 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20841712 0.82 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL22519217 0.82 DHODH (0.56) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL644360 0.82 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL7511192 0.82 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL2989798 0.81 MAOB (0.57) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL521687 0.81 ALDH1A1 (0.69) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed