SCHEMBL9763396

SCHEMBL9763396

OCCC#CCCOCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
IDO1 P14902 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
NAAA Q02083 1/20 0.39

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
SCHEMBL9763680 0.89 TDP1 (0.42) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL10488184 0.84 TDP1 (0.47) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL6001883 0.83 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL97038 0.83 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL2010505 0.83 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL9407052 0.81 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL97369 0.81 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL8553636 0.81 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL9574223 0.81 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AFFAR1
SCHEMBL96692 0.81 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AFFAR1

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 5 patents. 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
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed