SCHEMBL13195508

SCHEMBL13195508

CC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
LTA4H P09960 1/20 0.44
PARP10 Q53GL7 1/20 0.44
ALOX5 P09917 2/20 0.43
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL13195398 0.86 S1PR1 (0.54) MAOBALOX5NR4A2NR4A1NR4A3
SCHEMBL13195438 0.85 S1PR1 (0.53) MAOBALOX5NR4A2NR4A1NR4A3
SCHEMBL29592445 0.85 MAOB (0.49) MAOBALOX5S1PR1S1PR5MAOA
SCHEMBL2174555 0.84 L3MBTL1 (0.54) MAOBGAARAB9ASMN1; SMN2L3MBTL1
SCHEMBL14970599 0.82 MAOB (0.55) MAOBNR4A2MAOA
SCHEMBL16410202 0.80 MTNR1A (0.48) PTGS1GAAMAPTSMN1; SMN2MTNR1A
SCHEMBL20526908 0.80 MAOB (0.56) MAOBPARP10ALOX5PTGS1PTGS2
SCHEMBL21455761 0.77 MTNR1A (0.59) GAARAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL1819738 0.77 PTGER1 (0.50) MAPTSMN1; SMN2L3MBTL1MTNR1AMTNR1B
SCHEMBL15876023 0.76 S1PR1 (0.51) MAOBLTA4HS1PR1S1PR5RAB9A

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-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed