SCHEMBL22412975

SCHEMBL22412975

CC(N)OC(=O)CCCC(=O)OC(C)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36

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
SCHEMBL27713949 0.93 LMNA (0.57) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL6276301 0.90 LMNA (0.41) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL13538450 0.89 LMNA (0.59) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL10930838 0.87 LMNA (0.68) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL2196184 0.85 LMNA (0.71) LMNATSHRMAPTMAPK1ALDH1A1
Butane SCHEMBL3681072 0.85 LMNA (0.66) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL1109721 0.85 LMNA (0.71) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL2516960 0.85 LMNA (0.71) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL925671 0.85 LMNA (0.71) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL28810094 0.85 LMNA (0.66) LMNATSHRMAPTMAPK1ALDH1A1

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
EP-3938045-A1 SALTS OF A ISOCHROMANYL COMPOUND AND CRYSTALLINE FORMS, PROCESSES FOR PREPARING, THERAPEUTIC USES, AND PHARMACEUTICAL COMPOSITIONS THEREOF Sunovion Pharmaceuticals Inc. (US) 2022-01-19 EP disclosed
WO-2020186165-A1 SALTS OF A ISOCHROMANYL COMPOUND AND CRYSTALLINE FORMS, PROCESSES FOR PREPARING, THERAPEUTIC USES, AND PHARMACEUTICAL COMPOSITIONS THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-17 WO disclosed