SCHEMBL9856613

SCHEMBL9856613

CC(C)(C)CC(O)CCOC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ADRB2 P07550 4/20 0.54
ADRB1 P08588 4/20 0.54
ADRB3 P13945 4/20 0.54
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL574291 0.85 LMNA (0.54) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL1073073 0.83 LMNA (0.64) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL25891802 0.81 TDP1 (0.59) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL18288405 0.81 TDP1 (0.59) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL17470395 0.81 ALDH1A1 (0.66) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL25893162 0.81 TDP1 (0.59) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL5155769 0.80 TDP1 (0.68) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL11707339 0.79 LMNA (0.62) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL28288106 0.79 LMNA (0.58) LMNAADRB2ADRB1ADRB3TDP1
SCHEMBL3162957 0.79 TDP1 (0.66) LMNAADRB2ADRB1ADRB3TDP1

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
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP claimed