SCHEMBL12295115

SCHEMBL12295115

CC(=O)C(C)=CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALOX15 P16050 3/20 0.52
MEN1 O00255 3/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.50
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
POLB P06746 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 1/20 0.48
TRPA1 O75762 1/20 0.46

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
SCHEMBL1155127 0.86 KDM4E (0.55) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL2928302 0.86 KDM4E (0.55) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL2928304 0.86 KDM4E (0.55) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL11466302 0.83 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL11466301 0.83 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL31488021 0.80 KDM4E (0.33) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL10045726 0.79 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL31659057 0.79 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL31659048 0.79 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4KDM4E
SCHEMBL31659059 0.79 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO disclosed