Propionaldehyde

Propionaldehyde

SCHEMBL9514587

CCC=O.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 2/20 0.45
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.42
AGXT P21549 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
Propionaldehyde SCHEMBL27952942 0.92 TSHR (0.54) TSHRALDH1A1IDO1TP53AGXT
SCHEMBL28301231 0.84 TSHR (0.83) TSHRALDH1A1IDO1TP53AGXT
Propane SCHEMBL11584021 0.84 TSHR (0.83) TSHRALDH1A1IDO1TP53AGXT
SCHEMBL27380 0.81 TSHR (1.00) TSHRALDH1A1IDO1AGXTCA1
Benzene SCHEMBL27997624 0.81 TSHR (1.00) TSHRALDH1A1IDO1AGXTCA1
SCHEMBL5311581 0.81 TSHR (1.00) TSHRALDH1A1IDO1AGXTCA1
SCHEMBL30425720 0.80 TSHR (0.61) TSHRALDH1A1IDO1AGXTKMT2A
SCHEMBL76044 0.80 TSHR (0.61) TSHRALDH1A1IDO1AGXTKMT2A
Diethylamine SCHEMBL9559034 0.80 TSHR (0.68) TSHRALDH1A1IDO1TP53AGXT
Ether SCHEMBL10609432 0.79 TSHR (0.75) TSHRALDH1A1IDO1TP53AGXT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed