SCHEMBL21670441

SCHEMBL21670441

CCC/C=C/C/C=C/C/C=C/CCCCC(=O)OCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.79
CYP3A4 P08684 2/20 0.79
ALOX15 P16050 2/20 0.79
TSHR P16473 2/20 0.79
HSD17B10 Q99714 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
NR1I2 O75469 1/20 0.73
PGR P06401 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
PTGS2 P35354 1/20 0.73
PDE4D Q08499 1/20 0.73
MGLL Q99685 1/20 0.60
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
CNR1 P21554 1/20 0.59
FAAH O00519 2/20 0.55
F7 P08709 4/20 0.54
F3 P13726 4/20 0.54
FFAR1 O14842 3/20 0.54
PPARG P37231 3/20 0.54

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
SCHEMBL21670442 1.00 ALDH1A1 (0.79) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL29597391 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL28467404 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL28304049 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL29141243 0.95 ALDH1A1 (0.77) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL29065919 0.95 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17871051 0.93 ALDH1A1 (0.79) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL4807128 0.93 ALDH1A1 (0.79) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL4807120 0.93 ALDH1A1 (0.79) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL31515053 0.93 HSD17B10 (0.73) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062476-A1 FOOD AND BEVERAGE COMPOSITION CONTAINED IN DOUBLE-LAYERED CONTAINER KIKKOMAN CORPORATION (JP) 2020-02-27 US disclosed
EP-3608241-A1 FOOD AND BEVERAGE COMPOSITION PACKED IN DUAL CONTAINER Kikkoman Corporation (JP) 2020-02-12 EP disclosed