SCHEMBL6466566

SCHEMBL6466566

O=C(O)[C@@H]1C[C@H](F)CC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.56
HDAC4 P56524 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SLC9A1 P19634 1/20 0.47
HPGD P15428 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
DEGS1 O15121 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL3359435 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL5217474 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL1172743 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL323824 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL2034678 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL4126470 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL323823 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL8295172 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL5315326 0.86 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL22492047 0.86 FFAR1 (0.49) FFAR1HDAC4ALDH1A1SLC9A1HPGD

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed