SCHEMBL21729626

SCHEMBL21729626

O=C(OCc1ccccc1)OC1CC2CCC2CC1OC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL1444907 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL17563242 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL17563460 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL17563241 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5258445 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL11108392 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL11208751 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL11071047 0.77 TSHR (0.43) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL19519260 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL19850619 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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-3611290-A1 FILM FORMATION DEVICE AND FILM FORMATION METHOD Shincron Co., Ltd. (JP) 2020-02-19 EP disclosed