SCHEMBL7755347

SCHEMBL7755347

COc1ccc2c(c1)OC(O)(c1ccccc1)C(=O)C2O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.44
EDNRA P25101 6/20 0.43
EDNRB P24530 4/20 0.43
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
EIF4A1 P60842 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ABHD10 Q9NUJ1 1/20 0.38
CYP19A1 P11511 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
SCHEMBL28562134 0.86 EDNRB (0.42) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL3197538 0.85 EDNRA (0.44) MAPTMEN1KMT2AKDM4EEDNRA
SCHEMBL3289420 0.80 MAOA (0.43) MEN1KMT2AEDNRAEDNRBCYP3A4
SCHEMBL28560992 0.76 ALDH1A1 (0.41) MEN1KMT2AEDNRAEDNRBEIF4A1
SCHEMBL27660508 0.73 MEN1 (0.51) MAPTMEN1KMT2AKDM4EEDNRA
SCHEMBL7755343 0.70 TP53 (0.52) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL3618729 0.69 EDNRA (0.52) MEN1KMT2AKDM4ETP53EDNRA
SCHEMBL7521156 0.68 CYP19A1 (0.50) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL8582888 0.68 ALDH1A1 (0.49) MAPTMEN1KMT2AKDM4ECYP3A4
SCHEMBL11736489 0.68 MAOA (0.61) MAPTMEN1KMT2AALDH1A1

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
EP-1076093-A1 SAKURANETIN SYNTHASE GENE Japan Science and Technology Corporation (JP) 2001-02-14 EP disclosed