SCHEMBL27690145

SCHEMBL27690145

O=C1NC(CCc2ccccc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G6 O60733 2/20 0.37
PLA2G4A P47712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8859197 1.00 FASN (0.45) FASNALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL16125402 0.90 PLA2G6 (0.41) FASNSMN1; SMN2PLA2G6PLA2G4A
SCHEMBL8889749 0.86 FFAR1 (0.48) MEN1KMT2A
SCHEMBL12666866 0.84 KEAP1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL8888947 0.83 ESR1 (0.41) ALDH1A1L3MBTL1KMT2A
SCHEMBL7312317 0.82 GAA (0.44) FASNPOLB
SCHEMBL6471382 0.82 GAA (0.44) FASNPOLB
SCHEMBL1221080 0.82 GAA (0.44) FASNPOLB
SCHEMBL31357833 0.81 FASN (0.41) FASNALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL27353845 0.81 GAA (0.43) FASNPOLB

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
CN-101035756-A Non-natural amino acids MUSC FOUND FOR RES DEV (US) 2007-09-12 CN disclosed