SCHEMBL9764418

SCHEMBL9764418

O=C(O)NCCCCCOCCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.47
ASAH1 Q13510 1/20 0.46
MAPT P10636 6/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 2/20 0.41
CDK2 P24941 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21382093 0.82 SMN1; SMN2 (0.55) SLC13A5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9764527 0.81 SIGMAR1 (0.48) ASAH1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9764440 0.78 SLC13A5 (0.52) SLC13A5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9764494 0.77 GSK3B (0.46) SLC13A5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2755879 0.74 ERCC1 (0.58) SLC13A5MAPTHDAC1SMN1; SMN2NPC1
SCHEMBL10488193 0.74 SLC13A5 (0.52) SLC13A5ASAH1MAPTSMN1; SMN2NPC1
SCHEMBL9764529 0.73 L3MBTL1 (0.45) SLC13A5MAPTSMN1; SMN2L3MBTL1FFAR4
SCHEMBL9764710 0.72 SLC13A5 (0.42) SLC13A5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10488261 0.72 GSK3B (0.46) SLC13A5MAPTNPC1RAB9AL3MBTL1
SCHEMBL9764333 0.71 SLC2A1 (0.46) KDM4EMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed