SCHEMBL11535006

SCHEMBL11535006

CC(=O)c1ccc(OCCCCCBr)cc1O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.71
PPARD Q03181 1/20 0.64
MAOA P21397 1/20 0.58

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
SCHEMBL9043942 0.94 MAOB (0.70) MAOBPPARDMAOA
SCHEMBL21064541 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL5711582 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL15780084 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL5711683 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL3294967 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL5711605 0.87 MAOB (0.73) MAOBPPARD
SCHEMBL5711594 0.84 MAOB (0.74) MAOBPPARDMAOA
SCHEMBL10687936 0.84 PPARD (0.71) MAOBPPARDMAOA
SCHEMBL4944135 0.84 CA12 (0.55) MAOBPPARD

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
US-4133889-A ANAPHYLAXIS ANTAGONISTS FISONS, LTD. (GB) 1979-01-09 US disclosed