SCHEMBL9016266

SCHEMBL9016266

COc1cc(/C=C/c2ccc(O)cc2)oc(=O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.80
ALDH1A1 P00352 5/20 0.80
HPGD P15428 5/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
TP53 P04637 3/20 0.80
HSD17B10 Q99714 3/20 0.80
CASP7 P55210 2/20 0.80
CASP1 P29466 1/20 0.80
CYP3A4 P08684 3/20 0.76
HIF1A Q16665 2/20 0.71
KDM4E B2RXH2 6/20 0.61
CYP1A1 P04798 3/20 0.61
PTGS2 P35354 3/20 0.61
CYP1B1 Q16678 3/20 0.61
TTR P02766 2/20 0.61
ALOX5 P09917 2/20 0.61
PTGS1 P23219 2/20 0.61
MAPK1 P28482 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61

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
SCHEMBL9016268 1.00 MAPT (0.80) MAPTALDH1A1HPGDSMN1; SMN2TP53
Yangonin SCHEMBL1393965 0.89 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2TP53
Yangonin SCHEMBL5584097 0.89 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2TP53
Desmethoxyyangonin SCHEMBL3630674 0.86 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2TP53
Desmethoxyyangonin SCHEMBL236641 0.86 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL19665468 0.85 HIF1A (0.80) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL19665470 0.85 HIF1A (0.80) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL9016260 0.83 HIF1A (0.81) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL29929793 0.83 HIF1A (1.00) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL29583263 0.83 HIF1A (0.81) MAPTALDH1A1HPGDSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
US-5585386-A MIXTURES FOR APPLICATION TO SKIN OR SCALP L'OREAL (FR) 1996-12-17 US disclosed