SCHEMBL6254152

SCHEMBL6254152

CC(C)=CCCC(C)=C[C@H]1OC[C@H](O)CO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL6254158 1.00 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6254150 1.00 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15823756 0.88 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15823757 0.88 KMT2A (0.44) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL873529 0.85 KMT2A (0.48) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1532598 0.85 KMT2A (0.48) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL14548055 0.85 KMT2A (0.48) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15824118 0.82 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL15824117 0.82 KMT2A (0.45) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL355465 0.81 KMT2A (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567013-A1 ACETALS AS INSECT REPELLANT AGENTS Bencsits, Franz (AT) 2005-08-31 EP claimed
WO-2004039158-A1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2004-05-13 WO claimed