SCHEMBL11758802

SCHEMBL11758802

CC/C(C)=C\CC/C(C)=C/CO

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
ALOX15 P16050 3/20 0.71
MAPT P10636 2/20 0.71
MEN1 O00255 2/20 0.71
CYP3A4 P08684 2/20 0.71
ALDH1A1 P00352 1/20 0.71
UGT1A1 P22309 1/20 0.71
SQLE Q14534 7/20 0.50
KDM4E B2RXH2 1/20 0.42
ICMT O60725 1/20 0.41

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
SCHEMBL26691675 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9129911 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL26691674 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL18056789 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11550081 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9474782 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL16125851 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11550079 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9129905 1.00 KMT2A (0.71) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11760397 0.90 KMT2A (0.59) KMT2AALOX15MAPTMEN1CYP3A4

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
US-4006193-A GERANIOL AND NEROL FROM LINALOOL, VANADATE CATALYST KURARAY CO., LTD. (JA) 1977-02-01 US disclosed