SCHEMBL5320837

SCHEMBL5320837

COC(=O)c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 2/20 0.54
MDH2 P40926 2/20 0.54
P2RY14 Q15391 1/20 0.53
MCHR1 Q99705 10/20 0.48
HTR2B P41595 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
FFAR1 O14842 1/20 0.45

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 SCHEMBL5320839 0.91 MDH1 (0.53) MDH1MDH2P2RY14MCHR1HTR2B
SCHEMBL5318084 0.88 KMT2A (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2FFAR1
SCHEMBL5318956 0.87 MEN1 (0.58) P2RY14ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5318054 0.86 MEN1 (0.59) P2RY14ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11937515 0.85 NLRP3 (0.52) MCHR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5321024 0.84 KDM4E (0.42) MDH1MDH2ALDH1A1MEN1KMT2A
SCHEMBL5318926 0.82 MEN1 (0.55) P2RY14ALDH1A1MEN1KMT2A
Methoxymethane SCHEMBL5318086 0.79 KMT2A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2FFAR1
SCHEMBL5317341 0.78 MAPT (0.49) MDH1MDH2ALDH1A1MEN1KMT2A
SCHEMBL27781533 0.78 KDM4E (0.60) ALDH1A1MEN1KMT2A

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