SCHEMBL9762675

SCHEMBL9762675

ClCCCC#CCOCC/C=C\c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PAM P19021 1/20 0.32

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
SCHEMBL9762904 0.87 IDO1 (0.36) IDO1HRH3SIGMAR1PPARAPPARD
SCHEMBL7108908 0.75 IDO1 (0.52) IDO1HRH3SIGMAR1MEN1KMT2A
SCHEMBL7108904 0.75 IDO1 (0.52) IDO1HRH3SIGMAR1MEN1KMT2A
SCHEMBL9762776 0.74 IDO1 (0.42) IDO1SIGMAR1MEN1KMT2ANAAA
SCHEMBL810005 0.73 SIGMAR1 (0.46) IDO1SIGMAR1MAOBPAM
SCHEMBL9574219 0.72 TDP1 (0.41) IDO1SIGMAR1MEN1KMT2ANAAA
SCHEMBL19457521 0.71 SIGMAR1 (0.44) IDO1SIGMAR1MAOBPAM
SCHEMBL810272 0.71 SIGMAR1 (0.44) IDO1SIGMAR1MAOBPAM
SCHEMBL3025355 0.70 SIGMAR1 (0.43) IDO1SIGMAR1PAM
SCHEMBL2064305 0.70 SIGMAR1 (0.43) IDO1SIGMAR1PAM

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