SCHEMBL27610693

SCHEMBL27610693

CC1(C)OC(C=O)C(Cc2ccc(OCc3ccccc3)cc2)O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
BCHE P06276 1/20 0.43
GRM2 Q14416 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MAOB P27338 3/20 0.41
PPARG P37231 1/20 0.41
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL27588736 1.00 MEN1 (0.45) MEN1KMT2AKDM4CBCHEGRM2
SCHEMBL27610632 1.00 MEN1 (0.45) MEN1KMT2AKDM4CBCHEGRM2
SCHEMBL27691303 0.87 TLR9 (0.43) MEN1KMT2AGRM2
SCHEMBL11134349 0.79 TAAR1 (0.42) BCHE
SCHEMBL3950034 0.79 TAAR1 (0.42) BCHE
SCHEMBL7767591 0.77 MAOB (0.46) BCHEMMP2MMP13MAOBTP53
SCHEMBL3994040 0.72 MEN1 (0.50) MEN1KMT2AKDM4CBCHEGRM2
SCHEMBL5380212 0.72 MEN1 (0.50) MEN1KMT2AKDM4CBCHEGRM2
SCHEMBL13538515 0.72 MEN1 (0.50) MEN1KMT2AKDM4CGRM2MMP2
SCHEMBL13538534 0.72 MEN1 (0.50) MEN1KMT2AKDM4CGRM2MMP2

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-1582279-A Peroxisome-activated receptor agonists LILLY CO ELI (US) 2005-02-16 CN disclosed