SCHEMBL22679783

SCHEMBL22679783

CCCCc1cc2c3c(=O)n(C)c(=O)c3c3cc(CCCC)c4ccc5ccc1c1c5c4c3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
GAA P10253 5/20 0.38
ERAP1 Q9NZ08 1/20 0.38
KDM4E B2RXH2 6/20 0.34
HPGD P15428 5/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GLA P06280 2/20 0.33
HIF1A Q16665 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33

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
SCHEMBL22672783 0.89 TDP1 (0.44) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672778 0.84 ALDH1A1 (0.35) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672770 0.83 MEN1 (0.35) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672781 0.83 ALDH1A1 (0.34) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22414412 0.83 ALDH1A1 (0.34) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22668048 0.83 LMNA (0.41) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672796 0.82 MAPT (0.40) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672787 0.82 ALDH1A1 (0.34) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22414387 0.82 ALDH1A1 (0.34) ALDH1A1GAAERAP1KDM4EHPGD
SCHEMBL22672780 0.82 RAB9A (0.39) ALDH1A1GAAERAP1KDM4EHPGD

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-3739641-A1 N-TYPE SEMICONDUCTOR COMPOSITION, AND THIN FILM, ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-11-18 EP disclosed