SCHEMBL9060468

SCHEMBL9060468

CCCCCCCC(=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
EPHX2 P34913 2/20 0.58
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.52
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.50
FAAH O00519 1/20 0.50
CETP P11597 3/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL26445070 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL5142795 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL547836 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL28089503 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL7038549 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL7034273 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL28382194 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL8084828 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL7036521 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1
SCHEMBL8510522 1.00 KMT2A (0.66) KMT2AMEN1EPHX2CES2CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724729-B 1-Aryl-alpha, beta-unsaturated ketone compound, synthesis method thereof and application thereof in preparation of root-knot nematode killing drugs 陕西省生物农业研究所 2024-05-17 CN disclosed
CN-115724729-A 1-aryl-alpha, beta-unsaturated ketone compounds, synthesis method thereof and application thereof in preparation of root-knot nematode killing medicines 陕西省生物农业研究所 2023-03-03 CN disclosed
WO-1996027598-A1 A METHOD OF PREPARING A RODENTICIDE/ANTICOAGULANT COMPOUND IMPLICO B.V. (NL) 1996-09-12 WO disclosed