SCHEMBL28070796

SCHEMBL28070796

C/C=C(\C)CCC=C(C)C.[H+]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
MAPT P10636 2/20 0.58
ALDH1A1 P00352 2/20 0.58
UGT1A1 P22309 1/20 0.58
SQLE Q14534 6/20 0.56
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.52
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL1276617 0.97 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL2987781 0.97 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL794095 0.97 KMT2A (0.70) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL27497319 0.94 KMT2A (0.67) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL12713311 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL3092587 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL3090339 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6716175 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL10510234 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL17047981 0.92 KMT2A (0.80) KMT2AMEN1CYP3A4ALOX15MAPT

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-105669629-A Isoflavanone compound, preparation method and application thereof 上海交通大学医学院 2016-06-15 CN claimed