SCHEMBL9762776

SCHEMBL9762776

C#CCOCC/C=C\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAM P19021 1/20 0.38
MAOB P27338 1/20 0.37
NAAA Q02083 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL7108908 0.83 IDO1 (0.52) IDO1SIGMAR1MEN1KMT2APAM
SCHEMBL7108904 0.83 IDO1 (0.52) IDO1SIGMAR1MEN1KMT2APAM
SCHEMBL15388016 0.82 IDO1 (0.53) IDO1SIGMAR1PAMMAOBHTR2A
SCHEMBL15388017 0.82 IDO1 (0.53) IDO1SIGMAR1PAMMAOBHTR2A
SCHEMBL8736684 0.76 SIGMAR1 (0.44) IDO1SIGMAR1PAMMAOBHTR2A
SCHEMBL9762904 0.75 IDO1 (0.36) IDO1SIGMAR1MEN1KMT2APAM
SCHEMBL9762675 0.74 IDO1 (0.35) IDO1SIGMAR1MEN1KMT2APAM
SCHEMBL28661525 0.74 HRH3 (0.49) IDO1SIGMAR1MEN1KMT2APAM
SCHEMBL15388020 0.73 SIGMAR1 (0.42) IDO1SIGMAR1PAMMAOBHTR2A
SCHEMBL15388019 0.73 SIGMAR1 (0.42) IDO1SIGMAR1PAMMAOBHTR2A

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed