SCHEMBL11327952

SCHEMBL11327952

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(C)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 4/20 0.44
▸ ALDH1A1 P00352 9/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ NR1I2 O75469 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ PPARG P37231 3/20 0.38
▸ RXRA P19793 2/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ F7 P08709 3/20 0.36
▸ F3 P13726 3/20 0.36

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
SCHEMBL14593383 0.95 OXER1 (0.37) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL11494863 0.83 ALOX5 (0.51) OXER1ALDH1A1MAPTTDP1FAAH
SCHEMBL11327956 0.80 ALDH1A1 (0.50) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL11321529 0.75 NR1I2 (0.35) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL10702094 0.75 MGAM (0.35) OXER1ALDH1A1MAPTCYP3A4HSD17B10
SCHEMBL27355444 0.74 ALDH1A1 (0.37) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL820777 0.74 OXER1 (0.51) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL12820107 0.74 TSHR (0.39) ALDH1A1MAPTCYP3A4HSD17B10TSHR
SCHEMBL17676486 0.74 OXER1 (0.51) OXER1ALDH1A1MAPTADORA3NR1I2
SCHEMBL28561789 0.74 GRIK1 (0.43) OXER1ALDH1A1MAPTADORA3NR1I2

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-4264517-A Alkylphenyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoates G.D. SEARLE & CO. (US) 1981-04-28 — — US disclosed
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