SCHEMBL22100485

SCHEMBL22100485

CCOC(=O)CCCCCC(CC(=O)OCC)N(C)Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALOX5 P09917 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
LTA4H P09960 3/20 0.39
GLA P06280 1/20 0.38
KMT2A Q03164 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
SCHEMBL3675681 0.75 ALOX5 (0.57) ALOX5GLAKMT2A
SCHEMBL20226622 0.75 USP2 (0.44) BCHEACHEALDH1A1HTTSMN1; SMN2
SCHEMBL7999711 0.74 ALOX5 (0.59) ALOX5GLAKMT2A
SCHEMBL30200719 0.74 ALDH1A1 (0.49) TBXAS1BCHEACHETDP1ALDH1A1
SCHEMBL1239542 0.72 ALOX5 (0.65) ALOX5ALDH1A1GLAKMT2A
SCHEMBL11570899 0.72 ALOX5 (0.45) TBXAS1BCHEACHEALOX5ALDH1A1
SCHEMBL30200646 0.72 ALDH1A1 (0.50) BCHEACHETDP1ALDH1A1KMT2A
SCHEMBL31301752 0.71 ALOX15 (0.43) TBXAS1ALDH1A1SMN1; SMN2ALOX15LTA4H
SCHEMBL19474670 0.71 LTA4H (0.53) HTTSMN1; SMN2LTA4H
SCHEMBL3379507 0.70 HDAC8 (0.62) ALDH1A1HTTKMT2A

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
WO-2020123850-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-18 WO disclosed