SCHEMBL10652005

SCHEMBL10652005

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 7/20 0.50
PTPN1 P18031 1/20 0.42
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10649679 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10567047 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11416886 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10567038 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL5312419 0.92 KMT2A (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1472220 0.92 KMT2A (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1472222 0.92 KMT2A (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10669963 0.84 SQLE (0.46) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10669969 0.84 SQLE (0.46) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1301692 0.81 SQLE (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-0260551-A2 Isoprene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-23 EP disclosed