SCHEMBL7367749

SCHEMBL7367749

CC(C)COc1cc(C=O)ccc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
PDE4B Q07343 9/20 0.43
GAA P10253 1/20 0.43
IGF1R P08069 1/20 0.43
DRD1 P21728 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL1143785 0.85 ALDH1A1 (0.58) FDPSALDH1A1TSHRPDE4BGAA
SCHEMBL31619160 0.85 ALDH1A1 (0.58) FDPSALDH1A1TSHRPDE4BGAA
SCHEMBL1121580 0.83 ALDH1A1 (0.66) FDPSALDH1A1TSHRPDE4BGAA
SCHEMBL31009650 0.83 ALDH1A1 (0.66) FDPSALDH1A1TSHRPDE4BGAA
SCHEMBL140841 0.82 DRD1 (0.53) FDPSALDH1A1TSHRPDE4BDRD1
SCHEMBL29440132 0.82 DRD1 (0.53) FDPSALDH1A1TSHRPDE4BDRD1
SCHEMBL3138383 0.82 ALDH1A1 (0.61) FDPSALDH1A1TSHRPDE4BGAA
SCHEMBL7538876 0.81 ALDH1A1 (0.49) FDPSALDH1A1TSHRPDE4BDRD1
SCHEMBL5759482 0.81 FDPS (0.50) FDPSALDH1A1TSHRPDE4BDRD1
SCHEMBL3725582 0.80 ALDH1A1 (0.47) FDPSALDH1A1TSHRPDE4BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed