SCHEMBL8086922

SCHEMBL8086922

[CH]c1cc(OCC)cc(OC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
LMNA P02545 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TTR P02766 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL8086921 1.00 PTGS2 (0.42) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL9512129 0.87 MAPT (0.50) LMNAMEN1KMT2AKDM4ECYP3A4
SCHEMBL16957540 0.84 LMNA (0.50) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16957539 0.82 LMNA (0.41) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16954549 0.82 KMT2A (0.46) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16959066 0.81 CYP4F2 (0.63) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16959062 0.79 MEN1 (0.50) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16958977 0.78 KMT2A (0.43) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16950808 0.78 MEN1 (0.49) PTGS2LMNAMEN1KMT2AKDM4E
SCHEMBL16950805 0.78 KMT2A (0.40) PTGS2LMNAMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166074-A Pharmaceutical compositions NORSK HYDRO A.S. (NO) 2000-12-26 US claimed
US-6166074-A Pharmaceutical compositions NORSK HYDRO A.S. (NO) 2000-12-26 US disclosed
EP-0738145-A1 PHARMACEUTICAL COMPOSITIONS NORSK HYDRO a.s. (NO) 1996-10-23 EP disclosed
WO-1995018607-A1 PHARMACEUTICAL COMPOSITIONS NORSK HYDRO A.S (NO) 1995-07-13 WO disclosed