SCHEMBL6245449

SCHEMBL6245449

CC(=O)Oc1ccc(OCc2c(F)cccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
LMNA P02545 1/20 0.46
ELANE P08246 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALKBH1 Q13686 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MAOA P21397 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 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
SCHEMBL6238431 0.90 HPGD (0.53) MAOBALKBH1MAPTALDH1A1GAA
SCHEMBL2087289 0.84 MAOB (0.70) MAOBALDH1A1GAAMAOA
SCHEMBL7031067 0.79 LMNA (0.52) MAOBPARP15PARP14PARP10LMNA
SCHEMBL2087038 0.79 NR4A2 (0.61) MAOBPARP15PARP14PARP10ALKBH1
SCHEMBL6687945 0.78 MAPT (0.58) MAOBPARP15PARP14PARP10LMNA
SCHEMBL6238440 0.77 MAOB (0.74) MAOBPARP10MAOA
SCHEMBL19610706 0.77 MET (0.53) LMNAANO1MAPTGAA
SCHEMBL6245446 0.76 NR1H4 (0.47) MAOBALKBH1
SCHEMBL2088021 0.76 ALDH1A1 (0.59) MAOBPARP15PARP14PARP10LMNA
SCHEMBL7630628 0.75 MMP1 (0.53) LMNAALDH1A1GAAMMP1MMP2

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed