SCHEMBL10048459

SCHEMBL10048459

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
ALDH1A1 P00352 1/20 0.59
UGT1A1 P22309 1/20 0.59
SQLE Q14534 7/20 0.57
ICMT O60725 1/20 0.56
KDM4E B2RXH2 1/20 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
SCHEMBL1015975 0.86
SCHEMBL3935304 0.86
SCHEMBL14672158 0.83 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8054817 0.83 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL14227951 0.83 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.81 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL8819997 0.81 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8013144 0.81 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL21823197 0.81 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL890053 0.81 KMT2A (1.00) 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