Acrolein

Acrolein

SCHEMBL9699770

C=CC=O.CCCCCCCCCON(C)C

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
NAAA Q02083 1/20 0.38
CES2 O00748 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27716434 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL14097235 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL10407022 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL1864784 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL11705765 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL14874595 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL29065831 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL28188990 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL21114427 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA
SCHEMBL525805 0.83 CA12 (0.48) TSHRLPAR3LPAR1LPAR2NAAA

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-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed