SCHEMBL8580106

SCHEMBL8580106

C=C(C)CC(=C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.44
GLO1 Q04760 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
THRB P10828 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
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
SCHEMBL7037635 0.86 ALDH1A1 (0.47) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL262250 0.82 EGLN1 (0.50) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL7633120 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL10266670 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL60515 0.82 GAA (0.61) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL272491 0.81 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL11694750 0.80 EGLN1 (0.48) ALDH1A1TSHRLMNAHSD17B10MAPT
Hydrochloric Acid SCHEMBL10882428 0.80 GAA (0.58) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL1597247 0.80 MGAM (0.46) ALDH1A1TSHRLMNAHSD17B10MAPT
SCHEMBL11691945 0.80 EGLN1 (0.48) ALDH1A1TSHRLMNAHSD17B10MAPT

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-5747220-A Light sensitive planographic printing plate having particular deposited particles and process for producing the same MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-05 US disclosed