SCHEMBL6864756

SCHEMBL6864756

COc1ccc2c(c1)OC(O)(c1ccccc1)C(O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL2967632 0.84 GABRA1 (0.43) HIF1AMEN1KMT2AMAPTKDM4E
SCHEMBL1887520 0.79 HSP90AA1 (0.38) MAPTNPSR1MAOBCHRNB2SLC6A2
SCHEMBL29416859 0.79 HSP90AA1 (0.38) MAPTNPSR1MAOBCHRNB2SLC6A2
SCHEMBL6875188 0.75 MEN1 (0.56) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL7755343 0.73 TP53 (0.52) HIF1AMEN1KMT2AMAPTKDM4E
SCHEMBL7521156 0.72 CYP19A1 (0.50) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL17509392 0.70 SLC6A2 (0.46) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL6565634 0.70 KMT2A (0.43) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL25194801 0.69 CYP3A4 (0.57) HIF1AMEN1KMT2AMAPTKDM4E
SCHEMBL30991587 0.69 CYP3A4 (0.57) HIF1AMEN1KMT2AMAPTKDM4E

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-1414476-A1 BAUHINIA EXTRACTS MERCK PATENT GmbH (DE) 2004-05-06 EP disclosed
WO-2003011311-A1 BAUHINIA EXTRACTS MERCK PATENT GMBH (DE) 2003-02-13 WO disclosed