SCHEMBL11528005

SCHEMBL11528005

COc1cc(O)ccc1OCC(=O)Oc1ccc(O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
APP P05067 2/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL3687429 0.84 ALDH1A1 (0.67) KMT2AALDH1A1APPMEN1POLB
SCHEMBL25747602 0.83 POLB (0.64) KMT2AALDH1A1APPMAOBMEN1
SCHEMBL11347760 0.78 TSHR (0.64) ALDH1A1APPMAOBKDM4EGAA
SCHEMBL19335350 0.77 MAOB (0.48) KMT2AALDH1A1MAOBMEN1KDM4E
SCHEMBL7803228 0.76 IGF1R (0.53) ALDH1A1APPPOLB
SCHEMBL13736583 0.75 CALM1 (0.64) ALDH1A1MAOBKDM4EGAASMN1; SMN2
SCHEMBL2007090 0.75 ALDH1A1 (0.56) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL30514387 0.74 MAOB (0.70) KMT2AALDH1A1MAOBMEN1TDP1
SCHEMBL119396 0.74 MAOB (0.70) KMT2AALDH1A1MAOBMEN1TDP1
SCHEMBL6099115 0.74 MAOB (0.53) KMT2AAPPMAOBMEN1KDM4E

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
US-4163759-A Process for preparing aromatic hydroxyaldehydes HAARMANN & REIMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-08-07 US disclosed