SCHEMBL7681612

SCHEMBL7681612

CC(=CCOC1CCCCO1)CCC=C(C)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
ALOX5 P09917 1/20 0.35
TRPA1 O75762 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
PSEN1 P49768 1/20 0.34
PGGT1B P53609 1/20 0.34

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
SCHEMBL7681603 1.00 FNTA (0.40) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL7679318 0.90 HPGD (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL7679322 0.90 HPGD (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL11042524 0.89 FNTA (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL11041963 0.89 FNTA (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL11045633 0.89 FNTA (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL11043412 0.89 FNTA (0.39) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL10565035 0.88 KMT2A (0.45) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL10566716 0.88 KMT2A (0.45) FNTAFNTBALDH1A1ALOX15NFE2L2
SCHEMBL10570887 0.88 KMT2A (0.45) FNTAFNTBALDH1A1ALOX15NFE2L2

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-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed