SCHEMBL9763493

SCHEMBL9763493

BrCCC#CCOCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.40
NAAA Q02083 1/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FFAR1 O14842 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL10488184 0.89 TDP1 (0.47) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9764370 0.89 TDP1 (0.45) TDP1IDO1DRD2HTR2AHTR2C
SCHEMBL9763645 0.87 TDP1 (0.44) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9763680 0.84 TDP1 (0.42) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9574201 0.83 TDP1 (0.41) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9574219 0.83 TDP1 (0.41) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9763224 0.81 TDP1 (0.44) TDP1L3MBTL1IDO1NAAAMAOA
SCHEMBL9763611 0.79 ALDH1A1 (0.49) FFAR1
SCHEMBL9258414 0.78 TDP1 (0.52) TDP1L3MBTL1IDO1MAOAMEN1
SCHEMBL9257077 0.76 TDP1 (0.53) TDP1L3MBTL1IDO1MAOAMEN1

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