SCHEMBL21148431

SCHEMBL21148431

COc1ccc(C2=C/C(=C\C3C(O)C(/C=C4\C=C(c5ccc(OC)cc5)Oc5ccccc54)C3O)c3ccccc3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 6/20 0.41
ALOX5 P09917 1/20 0.41
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
CYP19A1 P11511 1/20 0.36
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL21148205 0.86 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14684667 0.73 NR1H4 (0.43) MEN1KMT2AMAPTACHEALDH1A1
SCHEMBL21147627 0.73 HDAC4 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL24700704 0.71
SCHEMBL19656067 0.71
SCHEMBL707760 0.66 ABL1 (0.50) MAPTACHEALDH1A1SMN1; SMN2NR1H4
SCHEMBL22718974 0.65 MAPT (0.32) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21148430 0.64 MAOA (0.41) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL24345234 0.63 MAPT (0.73) MEN1KMT2AMAPTALOX5ALDH1A1
SCHEMBL21148204 0.62 SMN1; SMN2 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-20190214578-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2019-07-11 US disclosed