SCHEMBL5317330

SCHEMBL5317330

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PPARA Q07869 2/20 0.41
EGFR P00533 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCR2 P25025 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL5318376 0.97 FAAH (0.46) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5317740 0.91 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5319097 0.91 KMT2A (0.42) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5317703 0.90 KMT2A (0.44) NPC1MAPTL3MBTL1KMT2AMEN1
Methoxymethane SCHEMBL5317331 0.90 PPARA (0.47) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5321024 0.88 KDM4E (0.42) MAPTSMN1; SMN2KMT2AMEN1PPARA
Methoxymethane SCHEMBL5318378 0.87 PPARA (0.47) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5317025 0.86 L3MBTL1 (0.47) NPC1MAPTRAB9AL3MBTL1KMT2A
SCHEMBL5317341 0.86 MAPT (0.49) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5317363 0.84 EGFR (0.38) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1

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