SCHEMBL11377981

SCHEMBL11377981

C=C(CC(C)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.68
▸ NR4A1 P22736 1/20 0.62
▸ NR4A2 P43354 1/20 0.62
▸ NR4A3 Q92570 1/20 0.62
▸ EGFR P00533 4/20 0.61
▸ PARP10 Q53GL7 1/20 0.59
▸ SRD5A2 P31213 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ PLA2G4B P0C869 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ MAPT P10636 1/20 0.52

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
SCHEMBL12987281 0.85 MAOB (0.71) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL19157998 0.81 MAOB (0.61) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL42302 0.81 MAOB (1.00) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL4602806 0.81 MAOB (0.70) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL16795721 0.80 NR4A1 (0.62) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL1069504 0.79 MAOB (0.63) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL10974421 0.79 MAOA (0.50) MAOBEGFRSMN1; SMN2ALDH1A1HTT
SCHEMBL15596323 0.78 MAOB (0.66) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL978502 0.78 RAB9A (0.71) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL27875463 0.78 NR4A1 (0.70) MAOBNR4A1NR4A2NR4A3EGFR

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
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 — — EP disclosed
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