SCHEMBL28246381

SCHEMBL28246381

[CH2]CC(=C)CCC=C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
SQLE Q14534 6/20 0.37
ALOX15 P16050 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
UGT1A1 P22309 1/20 0.34
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11443587 0.86 KMT2A (0.41) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL11443586 0.86 KMT2A (0.41) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL3663788 0.79 KMT2A (0.42) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL3663786 0.79 KMT2A (0.42) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL13210188 0.76 SQLE (0.37) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL3019061 0.76 SQLE (0.37) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL3019063 0.76 SQLE (0.37) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7174933 0.74 TSHR (0.65) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL21936846 0.74 TSHR (0.65) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL3699306 0.74 KMT2A (0.46) KMT2ASQLEALOX15MAPTMEN1

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-105473549-B The method for manufacturing hydrogenated nitrile 帝斯曼知识产权资产管理有限公司 2018-09-18 CN disclosed