Propionaldehyde

Propionaldehyde

SCHEMBL6452287

CC(C)c1cccc2sc3ccccc3c(=O)c12.CCC=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 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
SCHEMBL27760689 0.90 MAPT (0.50) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL29675381 0.90 MAPT (0.50) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL29359906 0.90 MAPT (0.50) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL52045 0.90 MAPT (0.50) MAPTRAB9ANPC1CYP1A2CYP3A4
Alcohol SCHEMBL28302782 0.89 MAPT (0.45) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL25183175 0.89 MAPT (0.49) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL30478400 0.89 MAPT (0.49) MAPTRAB9ANPC1CYP1A2CYP3A4
Iodide SCHEMBL31364215 0.89 MAPT (0.49) MAPTRAB9ANPC1CYP1A2CYP3A4
Biphenyl SCHEMBL4609545 0.85 MAPT (0.46) MAPTRAB9ANPC1CYP1A2CYP3A4
Acetone SCHEMBL1615361 0.85 MAPT (0.46) MAPTRAB9ANPC1CYP1A2CYP3A4

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
US-20050165152-A1 Pattern formation ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. (US) 2005-07-28 US disclosed