Propionaldehyde

Propionaldehyde

SCHEMBL5712970

CCC=O.O=C(O)c1cc(Sc2ccccc2C(F)(F)F)ccc1[AsH2]

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HTT P42858 1/20 0.36
ITGAL P20701 1/20 0.35
AR P10275 3/20 0.35
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NSD2 O96028 1/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
FABP4 P15090 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
PTPN11 Q06124 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL4604515 0.76 MAPT (0.49) TAS2R14LMNAMAPTAKR1C3AKR1C2
SCHEMBL4605316 0.76 AKR1C3 (0.46) TAS2R14LMNAAKR1C3AKR1C2KDM4E
SCHEMBL5712968 0.76 TAS2R14 (0.36) TAS2R14LMNAMAPTAKR1C3AKR1C2
Propionaldehyde SCHEMBL5712890 0.74 RXRA (0.56) RBP4TTRPPARGPPARA
SCHEMBL4603431 0.72 DTYMK (0.57) LMNAMAPTAKR1C3AKR1C2HTT
SCHEMBL8531244 0.72 POLB (0.53) TAS2R14LMNAMAPTAKR1C3AKR1C2
SCHEMBL5886112 0.69 MAPT (0.40) LMNAMAPTHTTITGALAR
SCHEMBL11473055 0.69 LMNA (0.47) LMNAMAPTHTTARKDM4E
SCHEMBL1564069 0.65 TDP1 (0.40) ITGALARHTR2CHTR6PGR
SCHEMBL8533504 0.64 MAPT (0.56) LMNAMAPTHTTKDM4ENPSR1

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-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 WO disclosed