SCHEMBL11647482

SCHEMBL11647482

CC(C)=CCCC(C)=CCCC(C)C=CS

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 4/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL11647479 1.00 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7882585 0.86 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7882582 0.86 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL24274187 0.80 FNTA (0.53) KMT2AMAPTMEN1FNTAFNTB
SCHEMBL8757899 0.80 FNTA (0.53) KMT2AMAPTMEN1FNTAFNTB
SCHEMBL11620500 0.80 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11808647 0.80 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL113968 0.80 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8059072 0.80 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL25333837 0.80 KMT2A (0.57) 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
US-4067910-A HEATING ALLYL XANTHOGENATE GIVAUDAN CORPORATION (US) 1978-01-10 US disclosed