SCHEMBL7826753

SCHEMBL7826753

COc1c(C)ccc2[nH]c(=O)c(C(=O)O)c(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
AR P10275 2/20 0.37
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL322275 0.88 USP2 (0.44) KDM4EALDH1A1GAAGRIN2DGRIN3B
SCHEMBL7754982 0.84 KDM5A (0.52) KDM4EALDH1A1POLBGAATDP1
SCHEMBL1033282 0.80 GRIN2D (0.43) KDM4EPOLBTDP1GRIN2DGRIN3B
SCHEMBL7556725 0.79 KMT2A (0.43) KDM4EALDH1A1GAATDP1HSD17B10
SCHEMBL2483507 0.78 KDM4E (0.50) KDM4EALDH1A1TDP1HSD17B10KMT2A
SCHEMBL7861633 0.77 KDM4E (0.37) KDM4ETDP1GRIK1GRIA1GRIA2
SCHEMBL3979257 0.76 CA12 (0.51) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL6204567 0.75 HDAC4 (0.49) ALDH1A1ARMAPT
SCHEMBL14335694 0.75 CYP19A1 (0.42) KDM4EALDH1A1POLBGAATDP1
SCHEMBL7559768 0.75 MAPT (0.48) KDM4ETDP1MAPT

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-1095021-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-02 EP disclosed
WO-2000003991-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed