SCHEMBL27508043

SCHEMBL27508043

COC(=O)CC(C(=O)OC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
KCNN4 O15554 1/20 0.43
ALDH1A1 P00352 1/20 0.40
KIF11 P52732 1/20 0.40
KCNA5 P22460 1/20 0.40
POLB P06746 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESRRB O95718 1/20 0.37
CES1 P23141 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
SCHEMBL25119732 0.84 KMT2A (0.43) KMT2AKCNN4ALDH1A1KIF11KCNA5
SCHEMBL27678470 0.79 KMT2A (0.42) KMT2AKCNN4KIF11MDM4MDM2
SCHEMBL9537104 0.79 KCNN4 (0.44) KMT2AKCNN4ALDH1A1KIF11KCNA5
SCHEMBL5799829 0.75 KMT2A (0.43) KMT2AKCNN4ALDH1A1KIF11KCNA5
SCHEMBL29045223 0.75 KMT2A (0.43) KMT2AKCNN4ALDH1A1KIF11KCNA5
SCHEMBL27453562 0.73 KMT2A (0.44) KMT2AKCNN4ALDH1A1KIF11POLB
SCHEMBL11278048 0.73 KMT2A (0.48) KMT2AKCNN4ALDH1A1KIF11MDM4
SCHEMBL1235122 0.73 KMT2A (0.48) KMT2AKCNN4ALDH1A1KIF11MDM4
SCHEMBL1028846 0.72 KMT2A (0.44) KMT2AKCNN4ALDH1A1KIF11MDM4
SCHEMBL1545921 0.71 KMT2A (0.56) KMT2AALDH1A1KCNA5L3MBTL1

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-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 CN disclosed