SCHEMBL5321024

SCHEMBL5321024

COC(=O)c1cc(NCCOc2ccc(C(F)(F)F)cc2)ccc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
MAPT P10636 2/20 0.40
CFTR P13569 1/20 0.40
BACE1 P56817 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38

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
Methoxymethane SCHEMBL5321026 0.91 KDM4E (0.49) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL5319097 0.88 KMT2A (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5317740 0.88 MAPT (0.41) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL5317330 0.88 FAAH (0.44) KDM4EALDH1A1HPGDPPARAPPARG
SCHEMBL5317703 0.87 KMT2A (0.44) ALDH1A1HPGDCYP2C19MAPTKMT2A
SCHEMBL11937520 0.85 KDM4E (0.43) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL5318376 0.85 FAAH (0.46) PPARAMAPTKMT2AMEN1SCN9A
SCHEMBL5320837 0.84 MDH1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MDH1
SCHEMBL5317025 0.84 L3MBTL1 (0.47) KDM4EALDH1A1HPGDCYP2C19PPARG
Methoxymethane SCHEMBL5317742 0.79 CFD (0.46) KDM4EUSP2ALDH1A1HSD17B10MAPT

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-2007119984-A1 SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM NEUROTECH CO., LTD. (KR) 2007-10-25 WO disclosed