SCHEMBL7074918

SCHEMBL7074918

Cc1cc(C(=O)O)c(N)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
GRM6 O15303 1/20 0.38
CSNK2A1 P68400 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TPMT P51580 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL6232764 0.87 SLC7A5 (0.40) KDM4EGRM6KMT2AMEN1TDP1
SCHEMBL1767847 0.87 KDM4E (0.40) KDM4EGRM6CYP2C9CYP2C19KMT2A
SCHEMBL7075526 0.85 KEAP1 (0.42) KDM4EGRM6KMT2AMEN1TDP1
SCHEMBL7078434 0.85 HSD17B10 (0.42) KDM4EGRM6KMT2AMEN1TDP1
SCHEMBL7071957 0.85 CYP3A4 (0.46) KDM4ENPSR1KMT2AMEN1ALDH1A1
SCHEMBL12276981 0.85 KDM4E (0.58) KDM4EGRM6CYP2C9CYP2C19NPSR1
SCHEMBL11881146 0.82 KDM4E (0.79) KDM4ECSNK2A1CYP2C9CYP2C19KMT2A
SCHEMBL27996077 0.79 CA12 (0.42) KDM4EGRM6GABRA1GABRG2GABRB3
SCHEMBL16114294 0.79 GRM6 (0.40) KDM4EGRM6CYP2C9CYP2C19NPSR1
SCHEMBL29594182 0.79 KDM4E (0.39) KDM4EGRM6CYP2C9CYP2C19NPSR1

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
WO-2003052053-A2 NUCLEOSIDE LIBRARIES AND COMPOUNDS BY MCC COMBINATORIAL STRATEGIES ON SOLID SUPPORT RIBAPHARM INC. (US) 2003-06-26 WO disclosed