Acrolein

Acrolein

SCHEMBL6271087

C=CC=O.O=CC1CCCCCC1c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ FABP7 O15540 2/20 0.34
▸ FABP3 P05413 2/20 0.34
▸ FABP5 Q01469 2/20 0.34
▸ KCNQ3 O43525 2/20 0.34
▸ KCNQ2 O43526 2/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ GRIA4 P48058 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ SSTR4 P31391 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
SCHEMBL12208421 0.86 MEN1 (0.42) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL27447081 0.79 MEN1 (0.46) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL27945836 0.73 SLC18A3 (0.49) MEN1KMT2AHPGDMAOAMAOB
SCHEMBL12212987 0.73 TRIM24 (0.36) MEN1KMT2A
SCHEMBL10079800 0.70 GRIA4 (0.38) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL415662 0.70 MEN1 (0.65) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL11904658 0.70 MEN1 (0.65) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL10434049 0.69 MEN1 (0.43) MEN1KMT2AHPGDSLC6A2KDM1A
SCHEMBL7975876 0.69 KDM1A (0.42) SLC6A2SLC6A4KDM1AHRH3
Cyclohexane SCHEMBL7567386 0.69 MEN1 (0.60) MEN1KMT2AHPGDSLC6A2SLC6A4

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
WO-2005108541-A1 WASHING COMPOSITIONS GIVAUDAN SA (CH) 2005-11-17 — — WO claimed
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