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SCHEMBL18686407

SCHEMBL18686407

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.63
▸ SQLE Q14534 8/20 0.61
▸ ALOX15 P16050 3/20 0.57
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ UGT1A1 P22309 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ GGPS1 O95749 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45

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
SCHEMBL2836049 0.90 NR1I2 (0.51) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL18116630 0.87 ALOX15 (0.46) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL5595884 0.86 ALOX15 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL5595879 0.86 ALOX15 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL16134349 0.85 ALOX15 (0.45) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL2836836 0.82 NR1I2 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL2834686 0.82 NR1I2 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL2832876 0.82 NR1I2 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL2833805 0.82 NR1I2 (0.68) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL2836407 0.82 NR1I2 (0.68) KMT2ASQLEALOX15MAPTMEN1

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-1848424-B1 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LAB INC (US) 2017-04-05 — — EP disclosed