SCHEMBL11248624

SCHEMBL11248624

C/C=C/C=C(\C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 2/20 0.36
GAA P10253 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 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
SCHEMBL11248625 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL14959182 0.92 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1679802 0.89 GLO1 (0.56) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1679803 0.89 GLO1 (0.56) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL27021469 0.86 GLO1 (0.55) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL27863610 0.84 HCAR2 (0.37) GLO1ALDH1A1LMNAMAPTGAA
SCHEMBL12267708 0.83 GLO1 (0.55) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1679737 0.82 GLO1 (0.48) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1679736 0.82 GLO1 (0.48) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL10081406 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 US claimed
CN-113736001-B Application of Lewis base, sorbate polymer and derivative thereof 吉林大学 2022-07-01 CN disclosed
CN-113736001-A Application of Lewis base, sorbate polymer and derivative thereof 吉林大学 2021-12-03 CN disclosed
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 US disclosed