SCHEMBL11044385

SCHEMBL11044385

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PPARG P37231 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
BACE1 P56817 2/20 0.36
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX5 P09917 2/20 0.35
TRPA1 O75762 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
SCHEMBL11042524 0.99 FNTA (0.39) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL11041963 0.99 FNTA (0.39) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL11045633 0.99 FNTA (0.39) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL11043412 0.99 FNTA (0.39) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL7686021 0.88 NFE2L2 (0.43) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL7686022 0.88 NFE2L2 (0.43) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL7681603 0.88 FNTA (0.40) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL7681612 0.88 FNTA (0.40) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL10000055 0.87 NFE2L2 (0.44) ALDH1A1ALOX15FNTAFNTBNFE2L2
SCHEMBL9320935 0.86 ALDH1A1 (0.38) ALDH1A1ALOX15FNTAFNTBNFE2L2

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-4454330-A Two-functional-group-containing terpenoids, processes for the preparation of the same, and anti-ulcer agents containing the same EISAI CO., LTD. (JP) 1984-06-12 US claimed