SCHEMBL4435918

SCHEMBL4435918

CCCC(NC(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACACB O00763 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.49

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
SCHEMBL20425198 0.85 PRKCA (0.54) ACACBMAOB
SCHEMBL20915059 0.82 ALOX5 (0.48) ALOX5LMNAL3MBTL1ACACBHDAC3
SCHEMBL574487 0.81 TACR3 (0.51) LMNAALDH1A1
SCHEMBL5015635 0.80 FAAH (0.49) ALDH1A1
SCHEMBL8691785 0.79 MMP13 (0.50) ACACB
SCHEMBL8691786 0.79 MMP13 (0.50) ACACB
SCHEMBL19329926 0.78 HDAC3 (0.53) LMNAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL20425136 0.77 LMNA (0.56) ALOX5LMNAL3MBTL1ACACBMAOB
SCHEMBL5273185 0.77 BCHE (0.60) L3MBTL1
SCHEMBL28857417 0.76 ALOX5 (0.53) ALOX5LMNAL3MBTL1HDAC3HDAC1

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
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP claimed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed