SCHEMBL28569902

SCHEMBL28569902

COc1cccc2c1C(C)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 2/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 2/20 0.37
GAA P10253 1/20 0.37
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL31500920 0.77 MAP3K14 (0.40) ACHEMEN1KMT2AALDH1A1GAA
SCHEMBL7727599 0.77 MAP3K14 (0.40) ACHEMEN1KMT2AALDH1A1GAA
SCHEMBL12592386 0.74 HTR1A (0.36) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL29088147 0.74 MAOA (0.38) MEN1KMT2AMAOALMNAMAPT
SCHEMBL27724810 0.71 MAPK1 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3273673 0.68 KMT2A (0.50) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5732983 0.67 CREBBP (0.46) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL543645 0.67 ACHE (0.44) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL5753223 0.66 TSHR (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5753228 0.66 TSHR (0.51) MEN1KMT2AALDH1A1KDM4ELMNA

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
CN-110294716-B Preparation method of azoxystrobin and intermediate thereof 帕潘纳(北京)科技有限公司 2021-05-07 CN disclosed