SCHEMBL10823643

SCHEMBL10823643

CC(C)Cn1cc(C(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 5/20 0.46
GRIA1 P42261 5/20 0.46
GRIA2 P42262 5/20 0.46
GRIA4 P48058 5/20 0.46
GRIK5 Q16478 5/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GRIA3 P42263 1/20 0.46
CYP2C19 P33261 4/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TYMP P19971 2/20 0.42
B3GNT2 Q9NY97 1/20 0.40
DDO Q99489 1/20 0.39

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
SCHEMBL10823650 0.81 KMT2A (0.53) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL4950435 0.80 KMT2A (0.50) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL31282172 0.78 KMT2A (0.49) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL425895 0.77 KMT2A (0.49) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL11239615 0.76 CYP2C19 (0.69) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL12862593 0.76 TYMP (0.60) TYMPALDH1A1
SCHEMBL15314041 0.75 CYP2C19 (0.47) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL1226226 0.75 GRIA1 (0.60) HTTKMT2ACYP1A2GRIA1GRIA2
SCHEMBL11238675 0.74 CYP2C19 (0.79) HTTKMT2ACYP2C9MAPTCYP1A2
SCHEMBL5983288 0.73 KMT2A (0.44) HTTKMT2ACYP2C9MAPTCYP1A2

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
JP-61010565-A None JP disclosed
JP-S6110565-A PREPARATION OF URACIL-5-CARBOXYLIC ACID ESTER TAKEDA CHEM IND LTD 1986-01-18 JP disclosed