SCHEMBL28080728

SCHEMBL28080728

C=CCOC(=O)OC.O=C(O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CASP3 P42574 4/20 0.45
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.43
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 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
SCHEMBL878241 0.85 KMT2A (0.48) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL30433255 0.84 KMT2A (0.55) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL15119354 0.82 KMT2A (0.60) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL29381061 0.81 FABP5 (0.59) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL44677 0.81 FABP5 (0.59) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL29901230 0.81 FABP5 (0.59) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL28058220 0.81 CYP3A4 (0.42) KMT2ACYP3A4
SCHEMBL30729524 0.80 KMT2A (0.48) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL4728768 0.80 KMT2A (0.48) KMT2ACASP3FABP5FABP7EPHX2
SCHEMBL29787101 0.78 CASP3 (0.51) KMT2ACASP3EPHX2

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-103224474-B The synthesis of tetracycline and the like 哈佛大学校长及研究员协会 2016-08-03 CN disclosed