Syringaldehyde

Syringaldehyde

SCHEMBL9328650

COc1cc(C=O)cc(OC)c1O.O=C(O)c1ccccc1

nearest known ligand 0.59

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Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Syringaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
ERN1 O75460 3/20 0.56
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
PTGS2 P35354 2/20 0.51

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
Syringaldehyde SCHEMBL28592447 0.85 ALDH1A1 (0.54) PKMERN1ALDH1A1MEN1KMT2A
Syringaldehyde SCHEMBL31412823 0.85 PKM (0.62) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL30119623 0.83 ALDH1A1 (0.62) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL150376 0.83 ALDH1A1 (0.62) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL2110596 0.83 ALDH1A1 (0.62) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL29268875 0.81 CYP3A4 (0.59) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL29724072 0.81 ALDH1A1 (0.60) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL28642631 0.81 ALDH1A1 (0.60) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL11013780 0.81 ALDH1A1 (0.60) PKMCA12CA1CA2CA3
Syringaldehyde SCHEMBL27352107 0.81 ALDH1A1 (0.60) PKMCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375723-B1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING S COLLEGE LONDON (GB) 1994-03-23 EP disclosed
US-5221606-A REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED KING'S COLLEGE LONDON (GB) 1993-06-22 US disclosed
EP-0375723-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES. KING S COLLEGE LONDON (GB) 1990-07-04 EP disclosed
WO-1989002473-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING'S COLLEGE LONDON (GB) 1989-03-23 WO disclosed