SCHEMBL16569002

SCHEMBL16569002

COc1cccc(C2(C(CC(C)C)C(=O)O)Nc3ccccc3N2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ANPEP P15144 2/20 0.35
MEN1 O00255 2/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL4037816 0.84 HPGD (0.38) HPGDHTTKMT2AALDH1A1NPC1
SCHEMBL4036448 0.82 HPGD (0.43) HPGDHTTKMT2AALDH1A1RAB9A
SCHEMBL4036682 0.72 METAP2 (0.44) HPGDHTTALDH1A1L3MBTL1
SCHEMBL4040091 0.71 LMNA (0.40) HPGDKMT2AMEN1LMNA
SCHEMBL4038175 0.70 METAP2 (0.37) HPGDALDH1A1RAB9AL3MBTL1
SCHEMBL4039555 0.70 USP2 (0.38) KMT2AALDH1A1USP2MEN1LMNA
SCHEMBL4034357 0.68 HPGD (0.43) HPGDKMT2AALDH1A1NPC1RAB9A
SCHEMBL4037895 0.68 HPGD (0.43) HPGDKMT2AALDH1A1NPC1RAB9A
SCHEMBL4039856 0.65 HPGD (0.44) HPGDKMT2AALDH1A1NPC1RAB9A
Methylmalonic Acid SCHEMBL27707751 0.65 KMT2A (0.53) HPGDHTTKMT2AALDH1A1USP2

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
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed