SCHEMBL9850089

SCHEMBL9850089

COc1cc(C2(OC)CCOC2=O)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LY96 Q9Y6Y9 1/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3679517 0.74 CYP2C9 (0.35) CYP3A4MAPK1ALDH1A1MEN1KMT2A
SCHEMBL9850087 0.73 SIGMAR1 (0.41) CYP3A4ALDH1A1NPSR1MEN1KMT2A
SCHEMBL1533059 0.72 HSD11B1 (0.36)
SCHEMBL7033227 0.67 LMNA (0.44) ALDH1A1CYP19A1MEN1KMT2ALMNA
SCHEMBL7212713 0.66 ACHE (0.45) ATMKDM4EACHEMAPTCYP3A4
SCHEMBL10985710 0.66 CYP3A4 (0.42) ATMKDM4EACHEMAPTCYP3A4
SCHEMBL9721261 0.66 LMNA (0.41) ATMKDM4EACHEMAPTCYP3A4
SCHEMBL8563574 0.65 MAPT (0.44) KDM4EACHEMAPTCYP3A4ALDH1A1
SCHEMBL28893222 0.64 MAPT (0.54) KDM4EACHEMAPTCYP3A4ALDH1A1
SCHEMBL9719037 0.64 MAPT (0.54) KDM4EACHEMAPTCYP3A4MAPK1

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-0423482-A1 5H-furan-2-one derivatives BAYER AG (DE) 1991-04-24 EP claimed
EP-0423482-A1 5H-furan-2-one derivatives BAYER AG (DE) 1991-04-24 EP disclosed