SCHEMBL25916732

SCHEMBL25916732

C=CC(=O)OCCCCOc1ccc(/C=C(\C#N)C=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
FDPS P14324 5/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13445656 0.83 ALDH1A1 (0.71) ALDH1A1PKMHTTFDPSCYP1A2
SCHEMBL12309215 0.82 ALDH1A1 (0.55) ALDH1A1PKMHTTCYP1A2CYP2C9
SCHEMBL11549693 0.79 CYP1A2 (0.62) ALDH1A1PKMHTTCYP1A2HPGD
SCHEMBL11549689 0.79 CYP1A2 (0.62) ALDH1A1PKMHTTCYP1A2HPGD
SCHEMBL12310435 0.78 ALDH1A1 (0.50) ALDH1A1PKMHTTCYP1A2CYP2C9
SCHEMBL12309219 0.78 ALDH1A1 (0.52) ALDH1A1PKMHTTCYP1A2CYP2C9
SCHEMBL12309209 0.78 ALDH1A1 (0.50) ALDH1A1PKMHTTFDPSCYP1A2
SCHEMBL21707479 0.77 ALDH1A1 (0.49) ALDH1A1PKMHTTCYP1A2CYP2C9
SCHEMBL12309647 0.77 ALDH1A1 (0.49) ALDH1A1PKMHTTCYP1A2CYP2C9
SCHEMBL18269132 0.77 FDPS (0.73) ALDH1A1FDPSHPGDSMN1; SMN2MAPT

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-4036131-B1 IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2023-08-02 EP disclosed