SCHEMBL9764440

SCHEMBL9764440

CC(C)(CCCCOCCc1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.52
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FFAR4 Q5NUL3 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 1/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10488193 0.95 SLC13A5 (0.52) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9764710 0.83 SLC13A5 (0.42) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7829380 0.79 PPARA (0.51)
SCHEMBL10488181 0.79 SLC13A5 (0.42) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9764418 0.78 SLC13A5 (0.47) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9764494 0.76 GSK3B (0.46) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL10488172 0.75 MAPT (0.43) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL10488261 0.71 GSK3B (0.46) SLC13A5MAPTL3MBTL1RAB9ANPC1
SCHEMBL27279231 0.71 ALDH1A1 (0.42) SLC13A5MAPTL3MBTL1SMN1; SMN2RAB9A
Gemcabene SCHEMBL761631 0.71 ACLY (0.55) SMN1; SMN2

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 3 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
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed