SCHEMBL27952103

SCHEMBL27952103

COc1cc(OC)cc(C(CC(=O)CC(c2cc(OC)cc(OC)c2)c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.55
POLB P06746 1/20 0.54
RORC P51449 10/20 0.53
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
ESRRA P11474 1/20 0.50
NR1H3 Q13133 1/20 0.50
RORB Q92753 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4817176 0.78 KMT2A (0.54) KMT2AMEN1POLB
SCHEMBL27952151 0.76 TACR1 (0.48) KMT2AMEN1POLBGAA
SCHEMBL2887843 0.76 KMT2A (0.66) KMT2AMEN1GAA
SCHEMBL7333442 0.73 KMT2A (0.56) KMT2AMEN1
SCHEMBL6705049 0.72 KMT2A (0.73) KMT2AMEN1GAA
SCHEMBL27842527 0.72 KMT2A (0.54) KMT2AMEN1POLBGAA
SCHEMBL13776921 0.72 KMT2A (0.63) KMT2AMEN1GAA
SCHEMBL12920653 0.71 KMT2A (0.56) KMT2AMEN1POLBGAA
SCHEMBL2346146 0.71 KMT2A (0.56) KMT2AMEN1GAA
SCHEMBL4816680 0.71 KMT2A (0.63) KMT2AMEN1

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-101495436-B Process for the synthesis of -stilbene derivatives which makes it possible to obtain resveratrol and piceatannol CLARIANT SPECIALTY FINE CHEM 2014-02-26 CN disclosed