SCHEMBL10048458

SCHEMBL10048458

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCS

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
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
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53

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
SCHEMBL8064939 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10824372 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3078472 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3078470 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL28619973 0.86 KMT2A (0.81) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL28619974 0.86 KMT2A (0.81) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL331851 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL12412583 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3791172 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL12555811 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15

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
EP-2423177-A1 Analogs of geranylgeranylacetone (GGA) Nyken Holding B.V. (NL) 2012-02-29 EP disclosed