SCHEMBL6681669

SCHEMBL6681669

COc1cccc(C(=O)O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
FABP4 P15090 2/20 0.48
FABP3 P05413 1/20 0.48
FABP5 Q01469 1/20 0.48
HTT P42858 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
S1PR1 P21453 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL7475795 0.84 HTT (0.57) FABP4FABP3FABP5HTTKDM4E
SCHEMBL1966016 0.81 MYC (0.61) FABP4TAS2R14KDM4ELMNAALDH1A1
SCHEMBL11230568 0.80 ALDH1A1 (0.54) FABP4AKR1C3AKR1C2TAS2R14LMNA
SCHEMBL28370924 0.79 MYC (0.61) FABP4FABP3FABP5HTTKDM4E
SCHEMBL3824168 0.78 FABP4 (0.48) FABP4TAS2R14PDK2LMNAALDH1A1
SCHEMBL5782567 0.78 ALDH1A1 (0.51) MAOBHTTAKR1C3AKR1C2KDM4E
SCHEMBL5788415 0.77 CHEK1 (0.50) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL4958773 0.77 HSD11B1 (0.46) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7128802 0.76 KCNK3 (0.51) FABP4FABP3FABP5HTTKDM4E
SCHEMBL7794937 0.76 FABP3 (0.49) FABP4FABP3FABP5HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed