SCHEMBL22005187

SCHEMBL22005187

C#CCc1ccc(N2CCCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 2/20 0.42
RORC P51449 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALOX15 P16050 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8108972 0.86 CHKA (0.46) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL2351767 0.78 AGXT (0.46) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL12496637 0.76 MEN1 (0.50) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL3451425 0.75 CHKA (0.54) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL12298577 0.74 ALDH1A1 (0.52) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL2175616 0.74 LMNA (0.62) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL6245150 0.72 LMNA (0.60) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL9092806 0.72 LMNA (0.60) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL4386393 0.72 MAPT (0.64) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL17642581 0.72 AKR1C3 (0.57) RAB9ANPC1MAPTALDH1A1HTT

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
EP-3653615-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING SAME, AND OPTICAL ARTICLE COMPRISING CURED PRODUCT FORMED OF CURABLE COMPOSITION Tokuyama Corporation (JP) 2020-05-20 EP disclosed