SCHEMBL11570554

SCHEMBL11570554

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
ADRA1A P35348 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL249850 0.76 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL8372729 0.76 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL28746032 0.76 CHRM1 (0.39) TSHRADRA1ATDP1CHRM1ALDH1A1
SCHEMBL20711453 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL1572820 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL23913764 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL5740045 0.74 ADRA1A (0.44) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL5150731 0.74 SLC22A6 (0.36) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL1300987 0.74 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
Ammonia Solution, Strong SCHEMBL8858462 0.74 TDP1 (0.40) TSHRCYP2D6CYP2C19HIF1ASLC22A6

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-0001840-A2 Stabilising mixtures, process for stabilising synthetic materials against light with these mixtures and synthetic materials so stabilised CIBA-GEIGY AG (CH) 1979-05-16 EP disclosed