SCHEMBL5505263

SCHEMBL5505263

COc1ccc(C2(O)Oc3ccccc3C(=O)C2(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 1/20 0.47
PPIB P23284 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EDNRA P25101 5/20 0.40
ACHE P22303 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL31086937 1.00 MAPT (0.47) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL27567577 0.84 TP53 (0.51) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL727643 0.84 MAPT (0.40) MAPTKMT2ARAB9AMAPK1GAA
Benzoic Acid SCHEMBL28982992 0.76 PKM (0.43) MAPTKMT2ARAB9AMAPK1MEN1
SCHEMBL30872986 0.74 RIPK1 (0.53) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL8484519 0.74 CYP19A1 (0.47) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL2879152 0.74 CA1 (0.42) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL3197529 0.73 CYP19A1 (0.46) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL31217569 0.72 HPGD (0.50) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL28921922 0.71 CA1 (0.44) MAPTKMT2ANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641183-B Prevention and treatment of vascular calcification and cardiovascular/related diseases 顶峰创新实验室有限公司 2022-07-12 CN disclosed
EP-1833456-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 The Procter and Gamble Company (US) 2007-09-19 EP disclosed
EP-1778177-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 The Procter and Gamble Company (US) 2007-05-02 EP disclosed
EP-1771149-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 The Procter and Gamble Company (US) 2007-04-11 EP disclosed
WO-2006020163-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2006-02-23 WO disclosed
WO-2006020164-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2006-02-23 WO disclosed
WO-2006020165-A1 SKIN CARE COMPOSITION CONTAINING A FLAVONOID AND VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2006-02-23 WO disclosed