SCHEMBL21734405

SCHEMBL21734405

CC(C)=CCC/C(C)=C/CCN

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
SQLE Q14534 7/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52

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
SCHEMBL8940668 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL3951140 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL3096176 0.86 KMT2A (0.67) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL3096160 0.86 KMT2A (0.67) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL2495183 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL2495184 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL20624673 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21260659 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11892318 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL30531903 0.86 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4

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
WO-2020035601-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES BASF SE (DE) 2020-02-20 WO disclosed
WO-2020035600-A1 SYNTHESIS OF CHROMANOL DERIVATIVES BASF SE (DE) 2020-02-20 WO disclosed